tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene

C168H194ClN13O13S5 — CID 160563667

About tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene

tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene (PubChem CID 160563667) has the molecular formula C168H194ClN13O13S5 and a molecular weight of 2799.27 g/mol. Its IUPAC name is tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene.

Molecular Properties

• Compound Name: tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene
• PubChem CID: 160563667
• Molecular Formula: C168H194ClN13O13S5
• Molecular Weight: 2799.27 g/mol
• Exact Mass: 2796.32
• IUPAC Name: tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene
• SMILES: CCOc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)ccc2c1.Cc1cc2ccccc2s1.Cc1ccc(C=O)o1.Cc1ccc(CN2CCOCC2)s1.Cc1ccc(CNC(=O)OC(C)(C)C)o1.Cc1ccc(Cl)s1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2cc(O)ccc2c1.Cc1cccc(C(=O)N2CCOCC2)c1.Cc1cccc(C(=O)NC2CC2)c1.Cc1cccc(C)c1.Cc1cccc2c1oc1ccccc12.Cc1cnn(C)c1.Cc1csc2ccccc12.Cc1nc(C)c(C)s1.Cc1ncc(C)c(C)n1
• InChI: InChI=1S/C13H10O.C13H14O.C12H15NO2.C12H12O.C11H17NO3.C11H13NO.C11H10O.2C10H12N2.C10H15NOS.2C9H8S.C8H10.C7H10N2.C6H9NS.C6H6O2.C5H5ClS.C5H8N2/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13;1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-5-6-9(14-8)7-12-10(13)15-11(2,3)4;1-8-3-2-4-9(7-8)11(13)12-10-5-6-10;1-8-2-3-10-7-11(12)5-4-9(10)6-8;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;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-3-5-8(2)6-7;1-5-4-8-7(3)9-6(5)2;1-4-5(2)8-6(3)7-4;1-5-2-3-6(4-7)8-5;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5/h2-8H,1H3;4-9H,3H2,1-2H3;2-4,9H,5-8H2,1H3;3-8H,1-2H3;5-6H,7H2,1-4H3,(H,12,13);2-4,7,10H,5-6H2,1H3,(H,12,13);2-7,12H,1H3;2*4-6H,1-3H3;2-3H,4-8H2,1H3;2*2-6H,1H3;3-6H,1-2H3;4H,1-3H3;1-3H3;2-4H,1H3;2-3H,1H3;3-4H,1-2H3
• InChIKey: QZQIQELSFWWMLU-UHFFFAOYSA-N
• XLogP: 42.72
• TPSA: 296.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2799.27
LogP ≤ 5	42.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene?

The IUPAC name of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene (CID 160563667) is tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene.

What is the SMILES notation for tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene?

The canonical SMILES for tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene is CCOc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)ccc2c1.Cc1cc2ccccc2s1.Cc1ccc(C=O)o1.Cc1ccc(CN2CCOCC2)s1.Cc1ccc(CNC(=O)OC(C)(C)C)o1.Cc1ccc(Cl)s1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2cc(O)ccc2c1.Cc1cccc(C(=O)N2CCOCC2)c1.Cc1cccc(C(=O)NC2CC2)c1.Cc1cccc(C)c1.Cc1cccc2c1oc1ccccc12.Cc1cnn(C)c1.Cc1csc2ccccc12.Cc1nc(C)c(C)s1.Cc1ncc(C)c(C)n1.

What is the InChIKey of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene?

The InChIKey is QZQIQELSFWWMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C13H14O.C12H15NO2.C12H12O.C11H17NO3.C11H13NO.C11H10O.2C10H12N2.C10H15NOS.2C9H8S.C8H10.C7H10N2.C6H9NS.C6H6O2.C5H5ClS.C5H8N2/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13;1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-5-6-9(14-8)7-12-10(13)15-11(2,3)4;1-8-3-2-4-9(7-8)11(13)12-10-5-6-10;1-8-2-3-10-7-11(12)5-4-9(10)6-8;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;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-3-5-8(2)6-7;1-5-4-8-7(3)9-6(5)2;1-4-5(2)8-6(3)7-4;1-5-2-3-6(4-7)8-5;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5/h2-8H,1H3;4-9H,3H2,1-2H3;2-4,9H,5-8H2,1H3;3-8H,1-2H3;5-6H,7H2,1-4H3,(H,12,13);2-4,7,10H,5-6H2,1H3,(H,12,13);2-7,12H,1H3;2*4-6H,1-3H3;2-3H,4-8H2,1H3;2*2-6H,1H3;3-6H,1-2H3;4H,1-3H3;1-3H3;2-4H,1H3;2-3H,1H3;3-4H,1-2H3.

What are the key properties of tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene?

tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene has a molecular weight of 2799.27 g/mol, XLogP of 42.72, 11 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2-ethoxy-6-methylnaphthalene;2-methoxy-6-methylnaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,3-xylene is sourced from PubChem (CID 160563667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).