(1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol

C46H60N8O10S4 — CID 161071503

About (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol

(1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol (PubChem CID 161071503) has the molecular formula C46H60N8O10S4 and a molecular weight of 1013.30 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol.

Molecular Properties

• Compound Name: (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol
• PubChem CID: 161071503
• Molecular Formula: C46H60N8O10S4
• Molecular Weight: 1013.30 g/mol
• Exact Mass: 1012.33
• IUPAC Name: (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol
• SMILES: COc1cccc(OC)c1-n1c(CS(=O)(=O)CC[C@@H](O)C2CCCC2)nnc1-c1nc(C)cs1.COc1cccc(OC)c1-n1c(CS(=O)(=O)CC[C@H](O)C2CCCC2)nnc1-c1nc(C)cs1
• InChI: InChI=1S/2C23H30N4O5S2/c2*1-15-13-33-23(24-15)22-26-25-20(27(22)21-18(31-2)9-6-10-19(21)32-3)14-34(29,30)12-11-17(28)16-7-4-5-8-16/h2*6,9-10,13,16-17,28H,4-5,7-8,11-12,14H2,1-3H3/t2*17-/m10/s1
• InChIKey: UESLCVOFGQCUDY-QAOGLABXSA-N
• XLogP: 7.14
• TPSA: 232.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1013.30
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol?

The IUPAC name of (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol (CID 161071503) is (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol.

What is the SMILES notation for (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol?

The canonical SMILES for (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol is COc1cccc(OC)c1-n1c(CS(=O)(=O)CC[C@@H](O)C2CCCC2)nnc1-c1nc(C)cs1.COc1cccc(OC)c1-n1c(CS(=O)(=O)CC[C@H](O)C2CCCC2)nnc1-c1nc(C)cs1.

What is the InChIKey of (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol?

The InChIKey is UESLCVOFGQCUDY-QAOGLABXSA-N. The full InChI is InChI=1S/2C23H30N4O5S2/c2*1-15-13-33-23(24-15)22-26-25-20(27(22)21-18(31-2)9-6-10-19(21)32-3)14-34(29,30)12-11-17(28)16-7-4-5-8-16/h2*6,9-10,13,16-17,28H,4-5,7-8,11-12,14H2,1-3H3/t2*17-/m10/s1.

What are the key properties of (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol?

(1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol has a molecular weight of 1013.30 g/mol, XLogP of 7.14, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol is sourced from PubChem (CID 161071503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).