1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide

C24H27ClN6O2S2 — CID 10007205

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 10007205) has the molecular formula C24H27ClN6O2S2 and a molecular weight of 531.11 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
• PubChem CID: 10007205
• Molecular Formula: C24H27ClN6O2S2
• Molecular Weight: 531.11 g/mol
• Exact Mass: 530.13
• IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
• SMILES: Cc1nc(-c2nc(C(=O)NC3CCN(C(C)C)CC3)cn2Cc2cc(-c3ccc(Cl)s3)on2)cs1
• InChI: InChI=1S/C24H27ClN6O2S2/c1-14(2)30-8-6-16(7-9-30)27-24(32)18-12-31(23(28-18)19-13-34-15(3)26-19)11-17-10-20(33-29-17)21-4-5-22(25)35-21/h4-5,10,12-14,16H,6-9,11H2,1-3H3,(H,27,32)
• InChIKey: PWWBZUPMYRIVAY-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 89.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.11
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide?

The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide (CID 10007205) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide.

What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide?

The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide is Cc1nc(-c2nc(C(=O)NC3CCN(C(C)C)CC3)cn2Cc2cc(-c3ccc(Cl)s3)on2)cs1.

What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide?

The InChIKey is PWWBZUPMYRIVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O2S2/c1-14(2)30-8-6-16(7-9-30)27-24(32)18-12-31(23(28-18)19-13-34-15(3)26-19)11-17-10-20(33-29-17)21-4-5-22(25)35-21/h4-5,10,12-14,16H,6-9,11H2,1-3H3,(H,27,32).

What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide?

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 531.11 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 10007205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).