N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide

C16H14ClN5OS — CID 11523340

IUPACN-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccnc(Cl)c2)c(Nc2cnccc2C)s1
InChIInChI=1S/C16H14ClN5OS/c1-9-3-5-18-8-12(9)22-16-14(20-10(2)24-16)15(23)21-11-4-6-19-13(17)7-11/h3-8,22H,1-2H3,(H,19,21,23)
InChIKeyIKUXVXQZBPLHLZ-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.20
Rot. Bonds4

About N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide

N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 11523340) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID11523340
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccnc(Cl)c2)c(Nc2cnccc2C)s1
InChIInChI=1S/C16H14ClN5OS/c1-9-3-5-18-8-12(9)22-16-14(20-10(2)24-16)15(23)21-11-4-6-19-13(17)7-11/h3-8,22H,1-2H3,(H,19,21,23)
InChIKeyIKUXVXQZBPLHLZ-UHFFFAOYSA-N
XLogP4.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-pyridinyl)-5-[3-(hydroxymethyl)anilino]-2-methyl-1,3-thiazole-4-carboxamide
CID 90809120
5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91258597
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91233130
2-[(2-chloro-4-pyridinyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429218
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
4-hydrazinyl-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63328534
5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91091619
[5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate
CID 87441398
5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
CID 102705824
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 91114017
6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63327625

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide (CID 11523340) is N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccnc(Cl)c2)c(Nc2cnccc2C)s1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is IKUXVXQZBPLHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-9-3-5-18-8-12(9)22-16-14(20-10(2)24-16)15(23)21-11-4-6-19-13(17)7-11/h3-8,22H,1-2H3,(H,19,21,23).
What are the key properties of N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11523340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).