N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C12H8N2OS2 — CID 843289

IUPACN-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccs1
InChIInChI=1S/C12H8N2OS2/c15-11(10-6-3-7-16-10)14-12-13-8-4-1-2-5-9(8)17-12/h1-7H,(H,13,14,15)
InChIKeyZMMOBGPTOLXOEW-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.61
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 843289) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID843289
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC NameN-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccs1
InChIInChI=1S/C12H8N2OS2/c15-11(10-6-3-7-16-10)14-12-13-8-4-1-2-5-9(8)17-12/h1-7H,(H,13,14,15)
InChIKeyZMMOBGPTOLXOEW-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-2-Benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate, (Z)-
CID 5702580
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
N-Benzothiazol-2-yl-benzamide
CID 689669
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
2-(Acetoacetamido)benzothiazole
CID 20820
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 8892653
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 843289) is N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1cccs1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is ZMMOBGPTOLXOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS2/c15-11(10-6-3-7-16-10)14-12-13-8-4-1-2-5-9(8)17-12/h1-7H,(H,13,14,15).
What are the key properties of N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.61, 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)thiophene-2-carboxamide is sourced from PubChem (CID 843289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).