2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

C9H11N5OS — CID 63822437

IUPAC2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(N)nc2C)n[nH]1
InChIInChI=1S/C9H11N5OS/c1-4-3-6(14-13-4)12-8(15)7-5(2)11-9(10)16-7/h3H,1-2H3,(H2,10,11)(H2,12,13,14,15)
InChIKeyJYTKZYIYLAIKNS-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.32
Rot. Bonds2

About 2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 63822437) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID63822437
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(N)nc2C)n[nH]1
InChIInChI=1S/C9H11N5OS/c1-4-3-6(14-13-4)12-8(15)7-5(2)11-9(10)16-7/h3H,1-2H3,(H2,10,11)(H2,12,13,14,15)
InChIKeyJYTKZYIYLAIKNS-UHFFFAOYSA-N
XLogP1.32
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 63822437) is 2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2sc(N)nc2C)n[nH]1.
What is the InChIKey of 2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is JYTKZYIYLAIKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-4-3-6(14-13-4)12-8(15)7-5(2)11-9(10)16-7/h3H,1-2H3,(H2,10,11)(H2,12,13,14,15).
What are the key properties of 2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 63822437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).