N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide

C15H9N3OS — CID 2092315

IUPACN-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1
InChIInChI=1S/C15H9N3OS/c16-8-10-1-4-12(5-2-10)18-15(19)11-3-6-13-14(7-11)20-9-17-13/h1-7,9H,(H,18,19)
InChIKeyGJABMIUOOWUERB-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.42
Rot. Bonds2

About N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide

N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2092315) has the molecular formula C15H9N3OS and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID2092315
Molecular FormulaC15H9N3OS
Molecular Weight279.32 g/mol
Exact Mass279.05
IUPAC NameN-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1
InChIInChI=1S/C15H9N3OS/c16-8-10-1-4-12(5-2-10)18-15(19)11-3-6-13-14(7-11)20-9-17-13/h1-7,9H,(H,18,19)
InChIKeyGJABMIUOOWUERB-UHFFFAOYSA-N
XLogP3.42
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-benzothiazole-6-carboxamide
CID 17481716
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
CID 103706835
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
CID 104938868
methyl 3-(1,3-benzothiazole-6-carbonylamino)benzoate
CID 4797242
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 24643722
N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide
CID 16552316
3-amino-4-bromo-N-(4-cyanophenyl)benzamide
CID 61091150

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide (CID 2092315) is N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide is N#Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is GJABMIUOOWUERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS/c16-8-10-1-4-12(5-2-10)18-15(19)11-3-6-13-14(7-11)20-9-17-13/h1-7,9H,(H,18,19).
What are the key properties of N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide?
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2092315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).