N-phenyl-1,3-benzothiazole-2-carboxamide

C14H10N2OS — CID 900706

IUPACN-phenyl-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C14H10N2OS/c17-13(15-10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)18-14/h1-9H,(H,15,17)
InChIKeyYBBITEUFVRDJFO-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.55
Rot. Bonds2

About N-phenyl-1,3-benzothiazole-2-carboxamide

N-phenyl-1,3-benzothiazole-2-carboxamide (PubChem CID 900706) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is N-phenyl-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-1,3-benzothiazole-2-carboxamide
PubChem CID900706
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC NameN-phenyl-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C14H10N2OS/c17-13(15-10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)18-14/h1-9H,(H,15,17)
InChIKeyYBBITEUFVRDJFO-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-phenyl-1,3-benzothiazole-2-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-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide
CID 110700628
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 18585512
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122297707
N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 5240847
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592
N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide
CID 125485508
N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide
CID 22887490
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122317189

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-phenyl-1,3-benzothiazole-2-carboxamide (CID 900706) is N-phenyl-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-phenyl-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-phenyl-1,3-benzothiazole-2-carboxamide is O=C(Nc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-phenyl-1,3-benzothiazole-2-carboxamide?
The InChIKey is YBBITEUFVRDJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-13(15-10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)18-14/h1-9H,(H,15,17).
What are the key properties of N-phenyl-1,3-benzothiazole-2-carboxamide?
N-phenyl-1,3-benzothiazole-2-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 900706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).