N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

C25H31N5OS — CID 58740327

About N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (PubChem CID 58740327) has the molecular formula C25H31N5OS and a molecular weight of 449.62 g/mol. Its IUPAC name is N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
• PubChem CID: 58740327
• Molecular Formula: C25H31N5OS
• Molecular Weight: 449.62 g/mol
• Exact Mass: 449.22
• IUPAC Name: N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
• SMILES: Cc1c(C(=O)NC2CCCCC2)cc(-c2csc(-c3cnccn3)n2)n1C1CCCCC1
• InChI: InChI=1S/C25H31N5OS/c1-17-20(24(31)28-18-8-4-2-5-9-18)14-23(30(17)19-10-6-3-7-11-19)22-16-32-25(29-22)21-15-26-12-13-27-21/h12-16,18-19H,2-11H2,1H3,(H,28,31)
• InChIKey: MFMQLJZTQLKXFI-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.62
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?

The IUPAC name of N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (CID 58740327) is N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.

What is the SMILES notation for N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?

The canonical SMILES for N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is Cc1c(C(=O)NC2CCCCC2)cc(-c2csc(-c3cnccn3)n2)n1C1CCCCC1.

What is the InChIKey of N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?

The InChIKey is MFMQLJZTQLKXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5OS/c1-17-20(24(31)28-18-8-4-2-5-9-18)14-23(30(17)19-10-6-3-7-11-19)22-16-32-25(29-22)21-15-26-12-13-27-21/h12-16,18-19H,2-11H2,1H3,(H,28,31).

What are the key properties of N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?

N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide has a molecular weight of 449.62 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 58740327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).