N-(1,3-benzothiazol-2-yl)benzamide

C14H10N2OS — CID 689669

IUPACN-(1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C14H10N2OS/c17-13(10-6-2-1-3-7-10)16-14-15-11-8-4-5-9-12(11)18-14/h1-9H,(H,15,16,17)
InChIKeyFZVLVMRGZRRBFD-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.55
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)benzamide

N-(1,3-benzothiazol-2-yl)benzamide (PubChem CID 689669) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)benzamide
PubChem CID689669
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC NameN-(1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C14H10N2OS/c17-13(10-6-2-1-3-7-10)16-14-15-11-8-4-5-9-12(11)18-14/h1-9H,(H,15,16,17)
InChIKeyFZVLVMRGZRRBFD-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

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Related Compounds

LH-846
CID 851474
Benzamide, N-2-benzothiazolyl-4-nitro-
CID 215271
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
3(2H)-Pyridazinone, 4,5-dihydro-2-(2-benzothiazolyl)-6-phenyl-
CID 364042
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
Cyclohexanecarboxamide, N-(6-nitro-2-benzothiazolyl)-
CID 739510

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)benzamide (CID 689669) is N-(1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FZVLVMRGZRRBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-13(10-6-2-1-3-7-10)16-14-15-11-8-4-5-9-12(11)18-14/h1-9H,(H,15,16,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)benzamide?
N-(1,3-benzothiazol-2-yl)benzamide 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-(1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 689669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).