N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C24H22ClN5O2S2 — CID 90873130

About N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 90873130) has the molecular formula C24H22ClN5O2S2 and a molecular weight of 512.06 g/mol. Its IUPAC name is N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
• PubChem CID: 90873130
• Molecular Formula: C24H22ClN5O2S2
• Molecular Weight: 512.06 g/mol
• Exact Mass: 511.09
• IUPAC Name: N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
• SMILES: Cc1nc(C(=O)N2C[C@H]3C[C@H]3[C@H]2CNC(=O)c2sc3nccn3c2C)c(-c2cccc(Cl)c2)s1
• InChI: InChI=1S/C24H22ClN5O2S2/c1-12-20(34-24-26-6-7-29(12)24)22(31)27-10-18-17-9-15(17)11-30(18)23(32)19-21(33-13(2)28-19)14-4-3-5-16(25)8-14/h3-8,15,17-18H,9-11H2,1-2H3,(H,27,31)/t15-,17-,18-/m1/s1
• InChIKey: HEIQULQRIOQKMV-KBAYOESNSA-N
• XLogP: 4.68
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.06
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?

The IUPAC name of N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 90873130) is N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

What is the SMILES notation for N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?

The canonical SMILES for N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1nc(C(=O)N2C[C@H]3C[C@H]3[C@H]2CNC(=O)c2sc3nccn3c2C)c(-c2cccc(Cl)c2)s1.

What is the InChIKey of N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?

The InChIKey is HEIQULQRIOQKMV-KBAYOESNSA-N. The full InChI is InChI=1S/C24H22ClN5O2S2/c1-12-20(34-24-26-6-7-29(12)24)22(31)27-10-18-17-9-15(17)11-30(18)23(32)19-21(33-13(2)28-19)14-4-3-5-16(25)8-14/h3-8,15,17-18H,9-11H2,1-2H3,(H,27,31)/t15-,17-,18-/m1/s1.

What are the key properties of N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?

N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 512.06 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1R,2S,5S)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 90873130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).