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

C14H10ClN3OS — CID 2090046

IUPAC6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccc(Cl)nc3)cc2s1
InChIInChI=1S/C14H10ClN3OS/c1-8-17-11-4-3-10(6-12(11)20-8)18-14(19)9-2-5-13(15)16-7-9/h2-7H,1H3,(H,18,19)
InChIKeyIXIYYTQOQWJTRM-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.91
Rot. Bonds2

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

6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide (PubChem CID 2090046) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
PubChem CID2090046
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccc(Cl)nc3)cc2s1
InChIInChI=1S/C14H10ClN3OS/c1-8-17-11-4-3-10(6-12(11)20-8)18-14(19)9-2-5-13(15)16-7-9/h2-7H,1H3,(H,18,19)
InChIKeyIXIYYTQOQWJTRM-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide (CID 2090046) is 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide is Cc1nc2ccc(NC(=O)c3ccc(Cl)nc3)cc2s1.
What is the InChIKey of 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
The InChIKey is IXIYYTQOQWJTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c1-8-17-11-4-3-10(6-12(11)20-8)18-14(19)9-2-5-13(15)16-7-9/h2-7H,1H3,(H,18,19).
What are the key properties of 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-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 6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2090046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).