5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide

C17H14ClFN4OS — CID 91258597

IUPAC5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(C)sc2Nc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C17H14ClFN4OS/c1-9-5-13(3-4-20-9)22-16(24)15-17(25-10(2)21-15)23-14-7-11(18)6-12(19)8-14/h3-8,23H,1-2H3,(H,20,22,24)
InChIKeyLUCIBADZGWIQMC-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.94
Rot. Bonds4

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

5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 91258597) has the molecular formula C17H14ClFN4OS and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID91258597
Molecular FormulaC17H14ClFN4OS
Molecular Weight376.84 g/mol
Exact Mass376.06
IUPAC Name5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(C)sc2Nc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C17H14ClFN4OS/c1-9-5-13(3-4-20-9)22-16(24)15-17(25-10(2)21-15)23-14-7-11(18)6-12(19)8-14/h3-8,23H,1-2H3,(H,20,22,24)
InChIKeyLUCIBADZGWIQMC-UHFFFAOYSA-N
XLogP4.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-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

Related Compounds

N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 11523340
N-(2-chloro-4-pyridinyl)-5-[3-(hydroxymethyl)anilino]-2-methyl-1,3-thiazole-4-carboxamide
CID 90809120
5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91091619
5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91233130
5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine
CID 161049651
2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110465342
5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 69350584
5-[(5-chloro-3-pyridinyl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90997485
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107370428
2,5-dimethyl-N-(2-methyl-4-pyridinyl)thiophene-3-carboxamide
CID 110705565
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide
CID 11515853

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 91258597) is 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2nc(C)sc2Nc2cc(F)cc(Cl)c2)ccn1.
What is the InChIKey of 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LUCIBADZGWIQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4OS/c1-9-5-13(3-4-20-9)22-16(24)15-17(25-10(2)21-15)23-14-7-11(18)6-12(19)8-14/h3-8,23H,1-2H3,(H,20,22,24).
What are the key properties of 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91258597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).