2-methyl-1,3-thiazole-4-carboximidamide

C5H7N3S — CID 2799403

IUPAC2-methyl-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(C)n1
InChIInChI=1S/C5H7N3S/c1-3-8-4(2-9-3)5(6)7/h2H,1H3,(H3,6,7)
InChIKeySEHSTONTNZCNLJ-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.74
Rot. Bonds1

About 2-methyl-1,3-thiazole-4-carboximidamide

2-methyl-1,3-thiazole-4-carboximidamide (PubChem CID 2799403) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 2-methyl-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-1,3-thiazole-4-carboximidamide
PubChem CID2799403
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name2-methyl-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(C)n1
InChIInChI=1S/C5H7N3S/c1-3-8-4(2-9-3)5(6)7/h2H,1H3,(H3,6,7)
InChIKeySEHSTONTNZCNLJ-UHFFFAOYSA-N
XLogP0.74
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methyl-1,3-thiazole-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazole-4-carboximidamide?
The IUPAC name of 2-methyl-1,3-thiazole-4-carboximidamide (CID 2799403) is 2-methyl-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for 2-methyl-1,3-thiazole-4-carboximidamide?
The canonical SMILES for 2-methyl-1,3-thiazole-4-carboximidamide is [H]/N=C(\N)c1csc(C)n1.
What is the InChIKey of 2-methyl-1,3-thiazole-4-carboximidamide?
The InChIKey is SEHSTONTNZCNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-3-8-4(2-9-3)5(6)7/h2H,1H3,(H3,6,7).
What are the key properties of 2-methyl-1,3-thiazole-4-carboximidamide?
2-methyl-1,3-thiazole-4-carboximidamide has a molecular weight of 141.20 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 2799403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).