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

C13H12N4OS — CID 42110934

IUPAC1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccn(C)n3)ccc2s1
InChIInChI=1S/C13H12N4OS/c1-8-14-11-7-9(3-4-12(11)19-8)15-13(18)10-5-6-17(2)16-10/h3-7H,1-2H3,(H,15,18)
InChIKeyGMCOZFYYJWYIJA-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.59
Rot. Bonds2

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

1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide (PubChem CID 42110934) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
PubChem CID42110934
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccn(C)n3)ccc2s1
InChIInChI=1S/C13H12N4OS/c1-8-14-11-7-9(3-4-12(11)19-8)15-13(18)10-5-6-17(2)16-10/h3-7H,1-2H3,(H,15,18)
InChIKeyGMCOZFYYJWYIJA-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 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide (CID 42110934) is 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide is Cc1nc2cc(NC(=O)c3ccn(C)n3)ccc2s1.
What is the InChIKey of 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is GMCOZFYYJWYIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-14-11-7-9(3-4-12(11)19-8)15-13(18)10-5-6-17(2)16-10/h3-7H,1-2H3,(H,15,18).
What are the key properties of 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide?
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-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 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 42110934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).