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

C23H21F2N5O2S2 — CID 24964110

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

N-[(3R)-1-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 24964110) has the molecular formula C23H21F2N5O2S2 and a molecular weight of 501.58 g/mol. Its IUPAC name is N-[(3R)-1-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 24964110
• Molecular Formula: C23H21F2N5O2S2
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.11
• IUPAC Name: N-[(3R)-1-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: Cc1nc(C(=O)N2CCC[C@@H](NC(=O)c3c(C)nc4sccn34)C2)c(-c2ccc(F)c(F)c2)s1
• InChI: InChI=1S/C23H21F2N5O2S2/c1-12-19(30-8-9-33-23(30)26-12)21(31)28-15-4-3-7-29(11-15)22(32)18-20(34-13(2)27-18)14-5-6-16(24)17(25)10-14/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,28,31)/t15-/m1/s1
• InChIKey: DOYMYZJZRCUHBN-OAHLLOKOSA-N
• XLogP: 4.45
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(3R)-1-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 24964110) is N-[(3R)-1-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

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

The canonical SMILES for N-[(3R)-1-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(C(=O)N2CCC[C@@H](NC(=O)c3c(C)nc4sccn34)C2)c(-c2ccc(F)c(F)c2)s1.

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

The InChIKey is DOYMYZJZRCUHBN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21F2N5O2S2/c1-12-19(30-8-9-33-23(30)26-12)21(31)28-15-4-3-7-29(11-15)22(32)18-20(34-13(2)27-18)14-5-6-16(24)17(25)10-14/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,28,31)/t15-/m1/s1.

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

N-[(3R)-1-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 501.58 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 24964110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).