2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C17H14ClN3OS — CID 903690

IUPAC2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)c(C)c1
InChIInChI=1S/C17H14ClN3OS/c1-10-5-6-12(11(2)8-10)14-9-23-17(20-14)21-16(22)13-4-3-7-19-15(13)18/h3-9H,1-2H3,(H,20,21,22)
InChIKeyBITOSLVEEZLKRB-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.73
Rot. Bonds3

About 2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 903690) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID903690
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)c(C)c1
InChIInChI=1S/C17H14ClN3OS/c1-10-5-6-12(11(2)8-10)14-9-23-17(20-14)21-16(22)13-4-3-7-19-15(13)18/h3-9H,1-2H3,(H,20,21,22)
InChIKeyBITOSLVEEZLKRB-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838906
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 112773082
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
2-chloro-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134041379
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 4098660
2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 587751
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505
3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 1358970
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 112762053

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 903690) is 2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)c(C)c1.
What is the InChIKey of 2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is BITOSLVEEZLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-10-5-6-12(11(2)8-10)14-9-23-17(20-14)21-16(22)13-4-3-7-19-15(13)18/h3-9H,1-2H3,(H,20,21,22).
What are the key properties of 2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 903690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).