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

C15H11ClN4O2S — CID 108739147

IUPAC2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)ccn1
InChIInChI=1S/C15H11ClN4O2S/c1-8(21)18-13-6-9(4-5-17-13)14(22)20-15-19-11-3-2-10(16)7-12(11)23-15/h2-7H,1H3,(H,17,18,21)(H,19,20,22)
InChIKeyMEEMSGFHJRBFFK-UHFFFAOYSA-N
MW346.80 g/mol
LogP3.56
Rot. Bonds3

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

2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (PubChem CID 108739147) has the molecular formula C15H11ClN4O2S and a molecular weight of 346.80 g/mol. Its IUPAC name is 2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
PubChem CID108739147
Molecular FormulaC15H11ClN4O2S
Molecular Weight346.80 g/mol
Exact Mass346.03
IUPAC Name2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)ccn1
InChIInChI=1S/C15H11ClN4O2S/c1-8(21)18-13-6-9(4-5-17-13)14(22)20-15-19-11-3-2-10(16)7-12(11)23-15/h2-7H,1H3,(H,17,18,21)(H,19,20,22)
InChIKeyMEEMSGFHJRBFFK-UHFFFAOYSA-N
XLogP3.56
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43952268
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate
CID 108773602
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 62238142

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (CID 108739147) is 2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)ccn1.
What is the InChIKey of 2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is MEEMSGFHJRBFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2S/c1-8(21)18-13-6-9(4-5-17-13)14(22)20-15-19-11-3-2-10(16)7-12(11)23-15/h2-7H,1H3,(H,17,18,21)(H,19,20,22).
What are the key properties of 2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 346.80 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 108739147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).