2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C16H11Cl2N3OS — CID 78868970

IUPAC2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)c2cc(Cl)nc(Cl)c2)n1
InChIInChI=1S/C16H11Cl2N3OS/c1-9-4-2-3-5-11(9)12-8-23-16(19-12)21-15(22)10-6-13(17)20-14(18)7-10/h2-8H,1H3,(H,19,21,22)
InChIKeyPDITWTIPUAPXFH-UHFFFAOYSA-N
MW364.26 g/mol
LogP5.07
Rot. Bonds3

About 2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 78868970) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID78868970
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC Name2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)c2cc(Cl)nc(Cl)c2)n1
InChIInChI=1S/C16H11Cl2N3OS/c1-9-4-2-3-5-11(9)12-8-23-16(19-12)21-15(22)10-6-13(17)20-14(18)7-10/h2-8H,1H3,(H,19,21,22)
InChIKeyPDITWTIPUAPXFH-UHFFFAOYSA-N
XLogP5.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.07
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

6-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39016010
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442503
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696154
2-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 39015982
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitrobenzamide
CID 19195225
1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78865591
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 78897554
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 78868970) is 2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1ccccc1-c1csc(NC(=O)c2cc(Cl)nc(Cl)c2)n1.
What is the InChIKey of 2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is PDITWTIPUAPXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c1-9-4-2-3-5-11(9)12-8-23-16(19-12)21-15(22)10-6-13(17)20-14(18)7-10/h2-8H,1H3,(H,19,21,22).
What are the key properties of 2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 364.26 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 78868970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).