3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

C8H9N5OS — CID 64524009

IUPAC3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2cc(N)n[nH]2)s1
InChIInChI=1S/C8H9N5OS/c1-4-3-10-8(15-4)11-7(14)5-2-6(9)13-12-5/h2-3H,1H3,(H3,9,12,13)(H,10,11,14)
InChIKeySSJKKLUIJZAPLM-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.01
Rot. Bonds2

About 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 64524009) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID64524009
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2cc(N)n[nH]2)s1
InChIInChI=1S/C8H9N5OS/c1-4-3-10-8(15-4)11-7(14)5-2-6(9)13-12-5/h2-3H,1H3,(H3,9,12,13)(H,10,11,14)
InChIKeySSJKKLUIJZAPLM-UHFFFAOYSA-N
XLogP1.01
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 64524009) is 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is Cc1cnc(NC(=O)c2cc(N)n[nH]2)s1.
What is the InChIKey of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is SSJKKLUIJZAPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-4-3-10-8(15-4)11-7(14)5-2-6(9)13-12-5/h2-3H,1H3,(H3,9,12,13)(H,10,11,14).
What are the key properties of 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).