2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide

C23H20Cl2FN3O3S — CID 3771107

IUPAC2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1
InChIInChI=1S/C23H20Cl2FN3O3S/c1-32-19-6-5-14(24)11-17(19)27-21(30)18-12-33-22(28-18)13-7-9-29(10-8-13)23(31)20-15(25)3-2-4-16(20)26/h2-6,11-13H,7-10H2,1H3,(H,27,30)
InChIKeyTZYHMUZHDBJNOZ-UHFFFAOYSA-N
MW508.40 g/mol
LogP5.87
Rot. Bonds5

About 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide

2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 3771107) has the molecular formula C23H20Cl2FN3O3S and a molecular weight of 508.40 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID3771107
Molecular FormulaC23H20Cl2FN3O3S
Molecular Weight508.40 g/mol
Exact Mass507.06
IUPAC Name2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1
InChIInChI=1S/C23H20Cl2FN3O3S/c1-32-19-6-5-14(24)11-17(19)27-21(30)18-12-33-22(28-18)13-7-9-29(10-8-13)23(31)20-15(25)3-2-4-16(20)26/h2-6,11-13H,7-10H2,1H3,(H,27,30)
InChIKeyTZYHMUZHDBJNOZ-UHFFFAOYSA-N
XLogP5.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.40
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 3771107) is 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1csc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1.
What is the InChIKey of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is TZYHMUZHDBJNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FN3O3S/c1-32-19-6-5-14(24)11-17(19)27-21(30)18-12-33-22(28-18)13-7-9-29(10-8-13)23(31)20-15(25)3-2-4-16(20)26/h2-6,11-13H,7-10H2,1H3,(H,27,30).
What are the key properties of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 508.40 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3771107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).