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

C23H27N5O2S — CID 58740226

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

1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (PubChem CID 58740226) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
• PubChem CID: 58740226
• Molecular Formula: C23H27N5O2S
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.19
• IUPAC Name: 1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
• SMILES: Cc1c(C(=O)NC2CCCO2)cc(-c2csc(-c3cnccn3)n2)n1C1CCCCC1
• InChI: InChI=1S/C23H27N5O2S/c1-15-17(22(29)27-21-8-5-11-30-21)12-20(28(15)16-6-3-2-4-7-16)19-14-31-23(26-19)18-13-24-9-10-25-18/h9-10,12-14,16,21H,2-8,11H2,1H3,(H,27,29)
• InChIKey: ZCYRQQKNMZLPOQ-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (CID 58740226) is 1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.

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

The canonical SMILES for 1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is Cc1c(C(=O)NC2CCCO2)cc(-c2csc(-c3cnccn3)n2)n1C1CCCCC1.

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

The InChIKey is ZCYRQQKNMZLPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-15-17(22(29)27-21-8-5-11-30-21)12-20(28(15)16-6-3-2-4-7-16)19-14-31-23(26-19)18-13-24-9-10-25-18/h9-10,12-14,16,21H,2-8,11H2,1H3,(H,27,29).

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

1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 58740226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).