N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide

C13H9N3OS — CID 18109210

IUPACN-pyridin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc2ncsc2c1
InChIInChI=1S/C13H9N3OS/c17-13(16-10-3-5-14-6-4-10)9-1-2-11-12(7-9)18-8-15-11/h1-8H,(H,14,16,17)
InChIKeyWYOAQOULVFOBAD-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.94
Rot. Bonds2

About N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide

N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 18109210) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID18109210
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC NameN-pyridin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc2ncsc2c1
InChIInChI=1S/C13H9N3OS/c17-13(16-10-3-5-14-6-4-10)9-1-2-11-12(7-9)18-8-15-11/h1-8H,(H,14,16,17)
InChIKeyWYOAQOULVFOBAD-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
(2-Amino-benzothiazol-6-yl)-piperidin-1-yl-methanone
CID 769187
8-Mercapto-N-(2-(thiazol-2-yl)ethyl)quinoline-3-carboxamide
CID 124081114
N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712463
N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712465
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712469
2-Methyl-benzothiazole-6-carboxylic acid (4-acetyl-phenyl)-amide
CID 1085966
N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 2089599
N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092996
N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide
CID 2093795
N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 2096442
4-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 2119428

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide (CID 18109210) is N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccncc1)c1ccc2ncsc2c1.
What is the InChIKey of N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is WYOAQOULVFOBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-13(16-10-3-5-14-6-4-10)9-1-2-11-12(7-9)18-8-15-11/h1-8H,(H,14,16,17).
What are the key properties of N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide?
N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 18109210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).