2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole

C180H266ClF3N18O9S3 — CID 160701606

IUPAC2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole
SMILESCC(C)C(C)C.CC(C)C1=CCC=N1.CC(C)C1CCCCO1.CC(C)Cc1ccccc1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ncc(F)cn1.CC(C)c1nnc(C(C)(C)C)s1.CC(C)c1nnc(C2CC2)s1.CCOC(=O)c1coc(C(C)C)n1.COC(=O)c1ccc(C(C)C)cc1.COC(=O)c1cccc(C(C)C)c1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)nc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1nnc(C(C)C)s1
InChIInChI=1S/2C11H14O2.2C11H16.C10H14.C9H11F.C9H16N2S.C9H13NO3.C9H13NO.C9H13N.C8H10ClN.C8H10FN.C8H12N2S.2C8H11N.C8H16O.C7H9FN2.C7H12N2.C7H11N.C6H10N2S.C6H14/c1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)9-5-4-6-10(7-9)11(12)13-3;2*1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-10-11-8(12-7)9(3,4)5;1-4-12-9(11)7-5-13-8(10-7)6(2)3;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-9-10-8(11-7)6-3-4-6;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6(3)4/h2*4-8H,1-3H3;2*4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;6H,1-5H3;5-6H,4H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;5-6H,3-4H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-5H,1-2H3;4-6H,1-3H3;4-6H,3H2,1-2H3;4H,1-3H3;5-6H,1-4H3
InChIKeyRQRMDTBANDUECE-UHFFFAOYSA-N
MW3014.87 g/mol
LogP50.99
Rot. Bonds30

About 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole

2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole (PubChem CID 160701606) has the molecular formula C180H266ClF3N18O9S3 and a molecular weight of 3014.87 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole
PubChem CID160701606
Molecular FormulaC180H266ClF3N18O9S3
Molecular Weight3014.87 g/mol
Exact Mass3011.97
IUPAC Name2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole
SMILESCC(C)C(C)C.CC(C)C1=CCC=N1.CC(C)C1CCCCO1.CC(C)Cc1ccccc1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ncc(F)cn1.CC(C)c1nnc(C(C)(C)C)s1.CC(C)c1nnc(C2CC2)s1.CCOC(=O)c1coc(C(C)C)n1.COC(=O)c1ccc(C(C)C)cc1.COC(=O)c1cccc(C(C)C)c1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)nc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1nnc(C(C)C)s1
InChIInChI=1S/2C11H14O2.2C11H16.C10H14.C9H11F.C9H16N2S.C9H13NO3.C9H13NO.C9H13N.C8H10ClN.C8H10FN.C8H12N2S.2C8H11N.C8H16O.C7H9FN2.C7H12N2.C7H11N.C6H10N2S.C6H14/c1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)9-5-4-6-10(7-9)11(12)13-3;2*1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-10-11-8(12-7)9(3,4)5;1-4-12-9(11)7-5-13-8(10-7)6(2)3;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-9-10-8(11-7)6-3-4-6;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6(3)4/h2*4-8H,1-3H3;2*4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;6H,1-5H3;5-6H,4H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;5-6H,3-4H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-5H,1-2H3;4-6H,1-3H3;4-6H,3H2,1-2H3;4H,1-3H3;5-6H,1-4H3
InChIKeyRQRMDTBANDUECE-UHFFFAOYSA-N
XLogP50.99
TPSA334.03 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003014.87
LogP ≤ 550.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[2-[2-[4-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-methyltetrazol-5-yl)phenyl]-4-oxobutoxy]ethoxy]ethoxy]butanoate;3-(4-chloro-2-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1,3-oxazol-2-yl)benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1,3-oxazol-4-yl)benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-pyrimidin-4-ylbenzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzoic acid;methyl 3-(6-aminopyrimidin-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate
CID 167664416
2-Tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;1-chloro-4-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;bis(1-fluoro-4-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone;4-propan-2-yl-1,3-thiazole
CID 157063479
2-Tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone
CID 157249195
2-Tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;1-chloro-4-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone;4-propan-2-yl-1,3-thiazole
CID 157850856

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole?
The IUPAC name of 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole (CID 160701606) is 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole?
The canonical SMILES for 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole is CC(C)C(C)C.CC(C)C1=CCC=N1.CC(C)C1CCCCO1.CC(C)Cc1ccccc1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ncc(F)cn1.CC(C)c1nnc(C(C)(C)C)s1.CC(C)c1nnc(C2CC2)s1.CCOC(=O)c1coc(C(C)C)n1.COC(=O)c1ccc(C(C)C)cc1.COC(=O)c1cccc(C(C)C)c1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)nc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1nnc(C(C)C)s1.
What is the InChIKey of 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole?
The InChIKey is RQRMDTBANDUECE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14O2.2C11H16.C10H14.C9H11F.C9H16N2S.C9H13NO3.C9H13NO.C9H13N.C8H10ClN.C8H10FN.C8H12N2S.2C8H11N.C8H16O.C7H9FN2.C7H12N2.C7H11N.C6H10N2S.C6H14/c1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)9-5-4-6-10(7-9)11(12)13-3;2*1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-10-11-8(12-7)9(3,4)5;1-4-12-9(11)7-5-13-8(10-7)6(2)3;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-9-10-8(11-7)6-3-4-6;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6(3)4/h2*4-8H,1-3H3;2*4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;6H,1-5H3;5-6H,4H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;5-6H,3-4H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-5H,1-2H3;4-6H,1-3H3;4-6H,3H2,1-2H3;4H,1-3H3;5-6H,1-4H3.
What are the key properties of 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole?
2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole has a molecular weight of 3014.87 g/mol, XLogP of 50.99, 30 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;5-chloro-2-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;ethyl 2-propan-2-yl-1,3-oxazole-4-carboxylate;1-fluoro-4-propan-2-ylbenzene;5-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-6-propan-2-ylpyridine;bis(1-methyl-4-(2-methylpropyl)benzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methylpropylbenzene;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 160701606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).