4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide

C14H10ClN3OS — CID 7598302

IUPAC4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc(Cl)ccn3)cc2s1
InChIInChI=1S/C14H10ClN3OS/c1-8-17-11-3-2-10(7-13(11)20-8)18-14(19)12-6-9(15)4-5-16-12/h2-7H,1H3,(H,18,19)
InChIKeyNMSMPALYUGTDRO-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.91
Rot. Bonds2

About 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide

4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide (PubChem CID 7598302) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
PubChem CID7598302
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc(Cl)ccn3)cc2s1
InChIInChI=1S/C14H10ClN3OS/c1-8-17-11-3-2-10(7-13(11)20-8)18-14(19)12-6-9(15)4-5-16-12/h2-7H,1H3,(H,18,19)
InChIKeyNMSMPALYUGTDRO-UHFFFAOYSA-N
XLogP3.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide (CID 7598302) is 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide is Cc1nc2ccc(NC(=O)c3cc(Cl)ccn3)cc2s1.
What is the InChIKey of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The InChIKey is NMSMPALYUGTDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c1-8-17-11-3-2-10(7-13(11)20-8)18-14(19)12-6-9(15)4-5-16-12/h2-7H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide has a molecular weight of 303.77 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 7598302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).