4-(1,3-benzothiazol-2-yl)benzamide

C14H10N2OS — CID 28689293

IUPAC4-(1,3-benzothiazol-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C14H10N2OS/c15-13(17)9-5-7-10(8-6-9)14-16-11-3-1-2-4-12(11)18-14/h1-8H,(H2,15,17)
InChIKeyDHZAIWZQAXSGJO-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.06
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)benzamide

4-(1,3-benzothiazol-2-yl)benzamide (PubChem CID 28689293) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)benzamide
PubChem CID28689293
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name4-(1,3-benzothiazol-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C14H10N2OS/c15-13(17)9-5-7-10(8-6-9)14-16-11-3-1-2-4-12(11)18-14/h1-8H,(H2,15,17)
InChIKeyDHZAIWZQAXSGJO-UHFFFAOYSA-N
XLogP3.06
TPSA55.98 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
CID 11821106
prop-2-ynyl 4-(1,3-benzothiazol-2-yl)benzoate
CID 95909315
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide
CID 146346348
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
2-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)ethanone
CID 148599275
2-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(diaminomethylidene)guanidine
CID 168605977
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 15192720
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)benzamide (CID 28689293) is 4-(1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)benzamide is NC(=O)c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)benzamide?
The InChIKey is DHZAIWZQAXSGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c15-13(17)9-5-7-10(8-6-9)14-16-11-3-1-2-4-12(11)18-14/h1-8H,(H2,15,17).
What are the key properties of 4-(1,3-benzothiazol-2-yl)benzamide?
4-(1,3-benzothiazol-2-yl)benzamide has a molecular weight of 254.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 28689293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).