1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide

C12H11N5OS — CID 64780541

IUPAC1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
SMILESCc1nc2cc(-n3ccc(C(N)=O)n3)c(N)cc2s1
InChIInChI=1S/C12H11N5OS/c1-6-15-9-5-10(7(13)4-11(9)19-6)17-3-2-8(16-17)12(14)18/h2-5H,13H2,1H3,(H2,14,18)
InChIKeyHQJULNABICPEOG-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.47
Rot. Bonds2

About 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide

1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide (PubChem CID 64780541) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
PubChem CID64780541
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
SMILESCc1nc2cc(-n3ccc(C(N)=O)n3)c(N)cc2s1
InChIInChI=1S/C12H11N5OS/c1-6-15-9-5-10(7(13)4-11(9)19-6)17-3-2-8(16-17)12(14)18/h2-5H,13H2,1H3,(H2,14,18)
InChIKeyHQJULNABICPEOG-UHFFFAOYSA-N
XLogP1.47
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide (CID 64780541) is 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide is Cc1nc2cc(-n3ccc(C(N)=O)n3)c(N)cc2s1.
What is the InChIKey of 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is HQJULNABICPEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-6-15-9-5-10(7(13)4-11(9)19-6)17-3-2-8(16-17)12(14)18/h2-5H,13H2,1H3,(H2,14,18).
What are the key properties of 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide?
1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 64780541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).