N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide

C12H7ClN2OS2 — CID 2414873

IUPACN-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(Cl)s1
InChIInChI=1S/C12H7ClN2OS2/c13-10-6-5-9(17-10)11(16)15-12-14-7-3-1-2-4-8(7)18-12/h1-6H,(H,14,15,16)
InChIKeyAZLSXDRFOWQWMJ-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.26
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide (PubChem CID 2414873) has the molecular formula C12H7ClN2OS2 and a molecular weight of 294.79 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide
PubChem CID2414873
Molecular FormulaC12H7ClN2OS2
Molecular Weight294.79 g/mol
Exact Mass293.97
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(Cl)s1
InChIInChI=1S/C12H7ClN2OS2/c13-10-6-5-9(17-10)11(16)15-12-14-7-3-1-2-4-8(7)18-12/h1-6H,(H,14,15,16)
InChIKeyAZLSXDRFOWQWMJ-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 959639
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
N-Benzothiazol-2-yl-benzamide
CID 689669
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340
N-(1,3-Benzothiazol-2-YL)-2,4-dichlorobenzamide
CID 739902
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 2954087
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 673490
N-(1,3-benzothiazol-2-yl)-3-(trichloromethyl)benzamide
CID 1037067
N-(1,3-Benzothiazol-2-YL)-4-chlorobenzamide
CID 587146

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide (CID 2414873) is N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1ccc(Cl)s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide?
The InChIKey is AZLSXDRFOWQWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS2/c13-10-6-5-9(17-10)11(16)15-12-14-7-3-1-2-4-8(7)18-12/h1-6H,(H,14,15,16).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 2414873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).