4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile

C32H35ClN4S — CID 142601804

About 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile

4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile (PubChem CID 142601804) has the molecular formula C32H35ClN4S and a molecular weight of 543.18 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile
• PubChem CID: 142601804
• Molecular Formula: C32H35ClN4S
• Molecular Weight: 543.18 g/mol
• Exact Mass: 542.23
• IUPAC Name: 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile
• SMILES: C=C(CC(C)(C)C)N1CC=C(c2ccc3c(c2)C(N(C)c2nc(-c4ccc(Cl)cc4)c(C#N)s2)CC3)CC1
• InChI: InChI=1S/C32H35ClN4S/c1-21(19-32(2,3)4)37-16-14-22(15-17-37)25-7-6-23-10-13-28(27(23)18-25)36(5)31-35-30(29(20-34)38-31)24-8-11-26(33)12-9-24/h6-9,11-12,14,18,28H,1,10,13,15-17,19H2,2-5H3
• InChIKey: CZDIFXWNTZFEHU-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 43.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.18
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile?

The IUPAC name of 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile (CID 142601804) is 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile is C=C(CC(C)(C)C)N1CC=C(c2ccc3c(c2)C(N(C)c2nc(-c4ccc(Cl)cc4)c(C#N)s2)CC3)CC1.

What is the InChIKey of 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile?

The InChIKey is CZDIFXWNTZFEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN4S/c1-21(19-32(2,3)4)37-16-14-22(15-17-37)25-7-6-23-10-13-28(27(23)18-25)36(5)31-35-30(29(20-34)38-31)24-8-11-26(33)12-9-24/h6-9,11-12,14,18,28H,1,10,13,15-17,19H2,2-5H3.

What are the key properties of 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile?

4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile has a molecular weight of 543.18 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-2-[[6-[1-(4,4-dimethylpent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 142601804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).