N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C15H10N4OS2 — CID 55792015

IUPACN-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H10N4OS2/c20-14(11-8-10(18-19-11)12-6-3-7-21-12)17-15-16-9-4-1-2-5-13(9)22-15/h1-8H,(H,18,19)(H,16,17,20)
InChIKeyYOOIBQBEHXRJDA-UHFFFAOYSA-N
MW326.41 g/mol
LogP4.00
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55792015) has the molecular formula C15H10N4OS2 and a molecular weight of 326.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55792015
Molecular FormulaC15H10N4OS2
Molecular Weight326.41 g/mol
Exact Mass326.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H10N4OS2/c20-14(11-8-10(18-19-11)12-6-3-7-21-12)17-15-16-9-4-1-2-5-13(9)22-15/h1-8H,(H,18,19)(H,16,17,20)
InChIKeyYOOIBQBEHXRJDA-UHFFFAOYSA-N
XLogP4.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509104
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55790705
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90626206
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877
N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
CID 113264920
N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55786539
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55930525
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509204
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55791866
N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55858520

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55792015) is N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1nc2ccccc2s1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YOOIBQBEHXRJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS2/c20-14(11-8-10(18-19-11)12-6-3-7-21-12)17-15-16-9-4-1-2-5-13(9)22-15/h1-8H,(H,18,19)(H,16,17,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 326.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55792015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).