tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole

C210H264Cl4F10N20O20S4 — CID 159042967

IUPACtert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole
SMILESCC(=O)Nc1ccc(C)cc1.CC(=O)Nc1ccc(C)cc1F.COc1c(F)cc(C)cc1F.COc1cc(C)ccc1Cl.COc1ccc(Cl)c(C)c1.Cc1ccc(CN2CCOCC2)s1.Cc1ccc(CNC(=O)OC(C)(C)C)o1.Cc1ccc(CNC(=O)OC(C)(C)C)s1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2nc(C)oc2c1.Cc1nc(C)c(C)s1.[H]/N=C(\S/C(N)=N/[H])c1ccc(C)cc1
InChIInChI=1S/C11H14ClNO.3C11H14FNO.C11H17NO3.C11H17NO2S.C11H16O.C10H13ClO.C10H13FO.2C10H12N2.C10H15NOS.C9H10FNO.C9H11N3S.C9H10N2.C9H9NO.C9H11NO.2C8H9ClO.C8H7F3O.C8H8F2O.C6H9NS/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;2*1-7(2)11(14)13-10-5-4-8(3)6-9(10)12;1-8-5-6-9(14-8)7-12-10(13)15-11(2,3)4;1-8-5-6-9(15-8)7-12-10(13)14-11(2,3)4;1-8(2)12-11-6-5-9(3)7-10(11)4;2*1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-9-2-3-10(13-9)8-11-4-6-12-7-5-11;1-6-3-4-9(8(10)5-6)11-7(2)12;1-6-2-4-7(5-3-6)8(10)13-9(11)12;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-3-5-9(6-4-7)10-8(2)11;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-7(9)8(5-6)10-2;1-5-2-3-7(6(9)4-5)12-8(10)11;1-5-3-6(9)8(11-2)7(10)4-5;1-4-5(2)8-6(3)7-4/h2*2-3,8H,4-7H2,1H3;2*4-7H,1-3H3,(H,13,14);2*5-6H,7H2,1-4H3,(H,12,13);5-8H,1-4H3;2*4-7H,1-3H3;2*4-6H,1-3H3;2-3H,4-8H2,1H3;3-5H,1-2H3,(H,11,12);2-5,10H,1H3,(H3,11,12);3-5H,1-2H3,(H,10,11);3-5H,1-2H3;3-6H,1-2H3,(H,10,11);2*3-5H,1-2H3;2-4,8H,1H3;3-4H,1-2H3;1-3H3/b;;;;;;;;;;;;;10-8-;;;;;;;;
InChIKeyJWHLNHOKVFOEHQ-UZNIAOLPSA-N
MW3848.60 g/mol
LogP54.34
Rot. Bonds26

About tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole

tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole (PubChem CID 159042967) has the molecular formula C210H264Cl4F10N20O20S4 and a molecular weight of 3848.60 g/mol. Its IUPAC name is tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

Compound Nametert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole
PubChem CID159042967
Molecular FormulaC210H264Cl4F10N20O20S4
Molecular Weight3848.60 g/mol
Exact Mass3843.77
IUPAC Nametert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole
SMILESCC(=O)Nc1ccc(C)cc1.CC(=O)Nc1ccc(C)cc1F.COc1c(F)cc(C)cc1F.COc1cc(C)ccc1Cl.COc1ccc(Cl)c(C)c1.Cc1ccc(CN2CCOCC2)s1.Cc1ccc(CNC(=O)OC(C)(C)C)o1.Cc1ccc(CNC(=O)OC(C)(C)C)s1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2nc(C)oc2c1.Cc1nc(C)c(C)s1.[H]/N=C(\S/C(N)=N/[H])c1ccc(C)cc1
InChIInChI=1S/C11H14ClNO.3C11H14FNO.C11H17NO3.C11H17NO2S.C11H16O.C10H13ClO.C10H13FO.2C10H12N2.C10H15NOS.C9H10FNO.C9H11N3S.C9H10N2.C9H9NO.C9H11NO.2C8H9ClO.C8H7F3O.C8H8F2O.C6H9NS/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;2*1-7(2)11(14)13-10-5-4-8(3)6-9(10)12;1-8-5-6-9(14-8)7-12-10(13)15-11(2,3)4;1-8-5-6-9(15-8)7-12-10(13)14-11(2,3)4;1-8(2)12-11-6-5-9(3)7-10(11)4;2*1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-9-2-3-10(13-9)8-11-4-6-12-7-5-11;1-6-3-4-9(8(10)5-6)11-7(2)12;1-6-2-4-7(5-3-6)8(10)13-9(11)12;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-3-5-9(6-4-7)10-8(2)11;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-7(9)8(5-6)10-2;1-5-2-3-7(6(9)4-5)12-8(10)11;1-5-3-6(9)8(11-2)7(10)4-5;1-4-5(2)8-6(3)7-4/h2*2-3,8H,4-7H2,1H3;2*4-7H,1-3H3,(H,13,14);2*5-6H,7H2,1-4H3,(H,12,13);5-8H,1-4H3;2*4-7H,1-3H3;2*4-6H,1-3H3;2-3H,4-8H2,1H3;3-5H,1-2H3,(H,11,12);2-5,10H,1H3,(H3,11,12);3-5H,1-2H3,(H,10,11);3-5H,1-2H3;3-6H,1-2H3,(H,10,11);2*3-5H,1-2H3;2-4,8H,1H3;3-4H,1-2H3;1-3H3/b;;;;;;;;;;;;;10-8-;;;;;;;;
InChIKeyJWHLNHOKVFOEHQ-UZNIAOLPSA-N
XLogP54.34
TPSA485.18 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms268
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003848.60
LogP ≤ 554.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole?
The IUPAC name of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole (CID 159042967) is tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole.
What is the SMILES notation for tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole?
The canonical SMILES for tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole is CC(=O)Nc1ccc(C)cc1.CC(=O)Nc1ccc(C)cc1F.COc1c(F)cc(C)cc1F.COc1cc(C)ccc1Cl.COc1ccc(Cl)c(C)c1.Cc1ccc(CN2CCOCC2)s1.Cc1ccc(CNC(=O)OC(C)(C)C)o1.Cc1ccc(CNC(=O)OC(C)(C)C)s1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2nc(C)oc2c1.Cc1nc(C)c(C)s1.[H]/N=C(\S/C(N)=N/[H])c1ccc(C)cc1.
What is the InChIKey of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole?
The InChIKey is JWHLNHOKVFOEHQ-UZNIAOLPSA-N. The full InChI is InChI=1S/C11H14ClNO.3C11H14FNO.C11H17NO3.C11H17NO2S.C11H16O.C10H13ClO.C10H13FO.2C10H12N2.C10H15NOS.C9H10FNO.C9H11N3S.C9H10N2.C9H9NO.C9H11NO.2C8H9ClO.C8H7F3O.C8H8F2O.C6H9NS/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;2*1-7(2)11(14)13-10-5-4-8(3)6-9(10)12;1-8-5-6-9(14-8)7-12-10(13)15-11(2,3)4;1-8-5-6-9(15-8)7-12-10(13)14-11(2,3)4;1-8(2)12-11-6-5-9(3)7-10(11)4;2*1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-9-2-3-10(13-9)8-11-4-6-12-7-5-11;1-6-3-4-9(8(10)5-6)11-7(2)12;1-6-2-4-7(5-3-6)8(10)13-9(11)12;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-3-5-9(6-4-7)10-8(2)11;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-7(9)8(5-6)10-2;1-5-2-3-7(6(9)4-5)12-8(10)11;1-5-3-6(9)8(11-2)7(10)4-5;1-4-5(2)8-6(3)7-4/h2*2-3,8H,4-7H2,1H3;2*4-7H,1-3H3,(H,13,14);2*5-6H,7H2,1-4H3,(H,12,13);5-8H,1-4H3;2*4-7H,1-3H3;2*4-6H,1-3H3;2-3H,4-8H2,1H3;3-5H,1-2H3,(H,11,12);2-5,10H,1H3,(H3,11,12);3-5H,1-2H3,(H,10,11);3-5H,1-2H3;3-6H,1-2H3,(H,10,11);2*3-5H,1-2H3;2-4,8H,1H3;3-4H,1-2H3;1-3H3/b;;;;;;;;;;;;;10-8-;;;;;;;;.
What are the key properties of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole?
tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 3848.60 g/mol, XLogP of 54.34, 26 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 159042967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).