N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide

C13H12N4OS — CID 45284552

IUPACN-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide
SMILESCc1cc(NC(=O)c2nc3ccccc3s2)n(C)n1
InChIInChI=1S/C13H12N4OS/c1-8-7-11(17(2)16-8)15-12(18)13-14-9-5-3-4-6-10(9)19-13/h3-7H,1-2H3,(H,15,18)
InChIKeyGOINFBPCPBRGEB-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.59
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 45284552) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID45284552
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide
SMILESCc1cc(NC(=O)c2nc3ccccc3s2)n(C)n1
InChIInChI=1S/C13H12N4OS/c1-8-7-11(17(2)16-8)15-12(18)13-14-9-5-3-4-6-10(9)19-13/h3-7H,1-2H3,(H,15,18)
InChIKeyGOINFBPCPBRGEB-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide (CID 45284552) is N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide is Cc1cc(NC(=O)c2nc3ccccc3s2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is GOINFBPCPBRGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-7-11(17(2)16-8)15-12(18)13-14-9-5-3-4-6-10(9)19-13/h3-7H,1-2H3,(H,15,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 45284552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).