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

C29H25F2N5O2S2 — CID 25254887

About N-[[(2S)-1-[2-(3-fluorophenyl)-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-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 25254887) has the molecular formula C29H25F2N5O2S2 and a molecular weight of 577.68 g/mol. Its IUPAC name is N-[[(2S)-1-[2-(3-fluorophenyl)-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-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 25254887
• Molecular Formula: C29H25F2N5O2S2
• Molecular Weight: 577.68 g/mol
• Exact Mass: 577.14
• IUPAC Name: N-[[(2S)-1-[2-(3-fluorophenyl)-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(-c2cccc(F)c2)sc1-c1ccc(F)cc1
• InChI: InChI=1S/C29H25F2N5O2S2/c1-17-24(36-13-14-39-29(36)33-17)26(37)32-16-22-7-2-3-12-35(22)28(38)23-25(18-8-10-20(30)11-9-18)40-27(34-23)19-5-4-6-21(31)15-19/h4-6,8-11,13-15,22H,2-3,7,12,16H2,1H3,(H,32,37)/t22-/m0/s1
• InChIKey: RZMRLLKAKLNIJC-QFIPXVFZSA-N
• XLogP: 6.20
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.68
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[2-(3-fluorophenyl)-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-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 25254887) is N-[[(2S)-1-[2-(3-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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(-c2cccc(F)c2)sc1-c1ccc(F)cc1.

What is the InChIKey of N-[[(2S)-1-[2-(3-fluorophenyl)-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 RZMRLLKAKLNIJC-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H25F2N5O2S2/c1-17-24(36-13-14-39-29(36)33-17)26(37)32-16-22-7-2-3-12-35(22)28(38)23-25(18-8-10-20(30)11-9-18)40-27(34-23)19-5-4-6-21(31)15-19/h4-6,8-11,13-15,22H,2-3,7,12,16H2,1H3,(H,32,37)/t22-/m0/s1.

What are the key properties of N-[[(2S)-1-[2-(3-fluorophenyl)-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-fluorophenyl)-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 577.68 g/mol, XLogP of 6.20, 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-fluorophenyl)-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 25254887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).