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

C26H22ClFN4O2S — CID 3491627

IUPAC2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc2cc(NC(=O)c3csc(C4CCN(C(=O)c5c(F)cccc5Cl)CC4)n3)ccc2n1
InChIInChI=1S/C26H22ClFN4O2S/c1-15-5-6-17-13-18(7-8-21(17)29-15)30-24(33)22-14-35-25(31-22)16-9-11-32(12-10-16)26(34)23-19(27)3-2-4-20(23)28/h2-8,13-14,16H,9-12H2,1H3,(H,30,33)
InChIKeyAUOXFXQAZUHLGZ-UHFFFAOYSA-N
MW509.01 g/mol
LogP6.06
Rot. Bonds4

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

2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3491627) has the molecular formula C26H22ClFN4O2S and a molecular weight of 509.01 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide
PubChem CID3491627
Molecular FormulaC26H22ClFN4O2S
Molecular Weight509.01 g/mol
Exact Mass508.11
IUPAC Name2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc2cc(NC(=O)c3csc(C4CCN(C(=O)c5c(F)cccc5Cl)CC4)n3)ccc2n1
InChIInChI=1S/C26H22ClFN4O2S/c1-15-5-6-17-13-18(7-8-21(17)29-15)30-24(33)22-14-35-25(31-22)16-9-11-32(12-10-16)26(34)23-19(27)3-2-4-20(23)28/h2-8,13-14,16H,9-12H2,1H3,(H,30,33)
InChIKeyAUOXFXQAZUHLGZ-UHFFFAOYSA-N
XLogP6.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.01
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 3338809
N'-[2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 3825262
2-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide
CID 4686488
N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 5174273
[2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 3781453
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N'-(2-oxopiperidine-3-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3781424
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3341493
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 3682252
propan-2-yl 1-[2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 3864918
N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5174799
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 4999345
(2-chloro-6-fluorophenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289794

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide (CID 3491627) is 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide is Cc1ccc2cc(NC(=O)c3csc(C4CCN(C(=O)c5c(F)cccc5Cl)CC4)n3)ccc2n1.
What is the InChIKey of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is AUOXFXQAZUHLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O2S/c1-15-5-6-17-13-18(7-8-21(17)29-15)30-24(33)22-14-35-25(31-22)16-9-11-32(12-10-16)26(34)23-19(27)3-2-4-20(23)28/h2-8,13-14,16H,9-12H2,1H3,(H,30,33).
What are the key properties of 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide?
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(2-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 509.01 g/mol, XLogP of 6.06, 4 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-methylquinolin-6-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3491627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).