N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C29H24F3N5O2S2 — CID 25255052

About N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 25255052) has the molecular formula C29H24F3N5O2S2 and a molecular weight of 595.67 g/mol. Its IUPAC name is N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 25255052
• Molecular Formula: C29H24F3N5O2S2
• Molecular Weight: 595.67 g/mol
• Exact Mass: 595.13
• IUPAC Name: N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: Cc1nc2sccn2c1C(=O)NC[C@@H]1CCCCN1C(=O)c1nc(-c2ccc(F)c(F)c2)sc1-c1ccc(F)cc1
• InChI: InChI=1S/C29H24F3N5O2S2/c1-16-24(37-12-13-40-29(37)34-16)26(38)33-15-20-4-2-3-11-36(20)28(39)23-25(17-5-8-19(30)9-6-17)41-27(35-23)18-7-10-21(31)22(32)14-18/h5-10,12-14,20H,2-4,11,15H2,1H3,(H,33,38)/t20-/m0/s1
• InChIKey: BUJTWKRICVAMAG-FQEVSTJZSA-N
• XLogP: 6.34
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.67
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The IUPAC name of N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 25255052) is N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

What is the SMILES notation for N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The canonical SMILES for N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NC[C@@H]1CCCCN1C(=O)c1nc(-c2ccc(F)c(F)c2)sc1-c1ccc(F)cc1.

What is the InChIKey of N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The InChIKey is BUJTWKRICVAMAG-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H24F3N5O2S2/c1-16-24(37-12-13-40-29(37)34-16)26(38)33-15-20-4-2-3-11-36(20)28(39)23-25(17-5-8-19(30)9-6-17)41-27(35-23)18-7-10-21(31)22(32)14-18/h5-10,12-14,20H,2-4,11,15H2,1H3,(H,33,38)/t20-/m0/s1.

What are the key properties of N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 595.67 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 25255052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).