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

C23H20Cl2FN3O3S — CID 3268893

IUPAC2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)c2csc(C3CCN(C(=O)c4c(F)cccc4Cl)CC3)n2)c1
InChIInChI=1S/C23H20Cl2FN3O3S/c1-32-14-5-6-15(24)18(11-14)27-21(30)19-12-33-22(28-19)13-7-9-29(10-8-13)23(31)20-16(25)3-2-4-17(20)26/h2-6,11-13H,7-10H2,1H3,(H,27,30)
InChIKeyUAADGEHFVADWJM-UHFFFAOYSA-N
MW508.40 g/mol
LogP5.87
Rot. Bonds5

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

2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 3268893) 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-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID3268893
Molecular FormulaC23H20Cl2FN3O3S
Molecular Weight508.40 g/mol
Exact Mass507.06
IUPAC Name2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)c2csc(C3CCN(C(=O)c4c(F)cccc4Cl)CC3)n2)c1
InChIInChI=1S/C23H20Cl2FN3O3S/c1-32-14-5-6-15(24)18(11-14)27-21(30)19-12-33-22(28-19)13-7-9-29(10-8-13)23(31)20-16(25)3-2-4-17(20)26/h2-6,11-13H,7-10H2,1H3,(H,27,30)
InChIKeyUAADGEHFVADWJM-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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 3268893) is 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(Cl)c(NC(=O)c2csc(C3CCN(C(=O)c4c(F)cccc4Cl)CC3)n2)c1.
What is the InChIKey of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UAADGEHFVADWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FN3O3S/c1-32-14-5-6-15(24)18(11-14)27-21(30)19-12-33-22(28-19)13-7-9-29(10-8-13)23(31)20-16(25)3-2-4-17(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-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-chloro-5-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-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3268893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).