2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

C14H10ClN3OS — CID 587751

IUPAC2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc2sc(NC(=O)c3cccnc3Cl)nc2c1
InChIInChI=1S/C14H10ClN3OS/c1-8-4-5-11-10(7-8)17-14(20-11)18-13(19)9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,18,19)
InChIKeyWXQUJRUBSRKCRI-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.91
Rot. Bonds2

About 2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 587751) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID587751
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc2sc(NC(=O)c3cccnc3Cl)nc2c1
InChIInChI=1S/C14H10ClN3OS/c1-8-4-5-11-10(7-8)17-14(20-11)18-13(19)9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,18,19)
InChIKeyWXQUJRUBSRKCRI-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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Related Compounds

2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 163159029
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838906
2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 115661246
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104740830
2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
CID 46328829
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 587751) is 2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is Cc1ccc2sc(NC(=O)c3cccnc3Cl)nc2c1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is WXQUJRUBSRKCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c1-8-4-5-11-10(7-8)17-14(20-11)18-13(19)9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
2-chloro-N-(5-methyl-1,3-benzothiazol-2-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 2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 587751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).