(2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide

C23H24ClN5O2S — CID 93307139

IUPAC(2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCc1ccc(Cl)cc1Nc1nc(C(=O)N2CCCC[C@@H]2C(=O)NCc2ccncc2)cs1
InChIInChI=1S/C23H24ClN5O2S/c1-15-5-6-17(24)12-18(15)27-23-28-19(14-32-23)22(31)29-11-3-2-4-20(29)21(30)26-13-16-7-9-25-10-8-16/h5-10,12,14,20H,2-4,11,13H2,1H3,(H,26,30)(H,27,28)/t20-/m1/s1
InChIKeyKABQYEWVCXYDHO-HXUWFJFHSA-N
MW470.00 g/mol
LogP4.55
Rot. Bonds6

About (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide

(2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 93307139) has the molecular formula C23H24ClN5O2S and a molecular weight of 470.00 g/mol. Its IUPAC name is (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
PubChem CID93307139
Molecular FormulaC23H24ClN5O2S
Molecular Weight470.00 g/mol
Exact Mass469.13
IUPAC Name(2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCc1ccc(Cl)cc1Nc1nc(C(=O)N2CCCC[C@@H]2C(=O)NCc2ccncc2)cs1
InChIInChI=1S/C23H24ClN5O2S/c1-15-5-6-17(24)12-18(15)27-23-28-19(14-32-23)22(31)29-11-3-2-4-20(29)21(30)26-13-16-7-9-25-10-8-16/h5-10,12,14,20H,2-4,11,13H2,1H3,(H,26,30)(H,27,28)/t20-/m1/s1
InChIKeyKABQYEWVCXYDHO-HXUWFJFHSA-N
XLogP4.55
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.00
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide with MolForge

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Related Compounds

1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 46137292
[1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 42814263
1-[2-(butylamino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 42813442
(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93143143
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42813186
(3R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 93306855
1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 90488367
(2R)-1-[2-(2,3-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 93306573
1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide
CID 119044208
(2R)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305294
(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305293
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42813255

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide (CID 93307139) is (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide is Cc1ccc(Cl)cc1Nc1nc(C(=O)N2CCCC[C@@H]2C(=O)NCc2ccncc2)cs1.
What is the InChIKey of (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is KABQYEWVCXYDHO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24ClN5O2S/c1-15-5-6-17(24)12-18(15)27-23-28-19(14-32-23)22(31)29-11-3-2-4-20(29)21(30)26-13-16-7-9-25-10-8-16/h5-10,12,14,20H,2-4,11,13H2,1H3,(H,26,30)(H,27,28)/t20-/m1/s1.
What are the key properties of (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
(2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 470.00 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 93307139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).