2-(113C)methyl-1,3-thiazol-5-amine

C4H6N2S — CID 132647797

IUPAC2-(113C)methyl-1,3-thiazol-5-amine
SMILES[13CH3]c1ncc(N)s1
InChIInChI=1S/C4H6N2S/c1-3-6-2-4(5)7-3/h2H,5H2,1H3/i1+1
InChIKeyIDSUZAVUCMIBBS-OUBTZVSYSA-N
MW115.17 g/mol
LogP1.03
Rot. Bonds

About 2-(113C)methyl-1,3-thiazol-5-amine

2-(113C)methyl-1,3-thiazol-5-amine (PubChem CID 132647797) has the molecular formula C4H6N2S and a molecular weight of 115.17 g/mol. Its IUPAC name is 2-(113C)methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(113C)methyl-1,3-thiazol-5-amine
PubChem CID132647797
Molecular FormulaC4H6N2S
Molecular Weight115.17 g/mol
Exact Mass115.03
IUPAC Name2-(113C)methyl-1,3-thiazol-5-amine
SMILES[13CH3]c1ncc(N)s1
InChIInChI=1S/C4H6N2S/c1-3-6-2-4(5)7-3/h2H,5H2,1H3/i1+1
InChIKeyIDSUZAVUCMIBBS-OUBTZVSYSA-N
XLogP1.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(113C)methyl-1,3-thiazol-5-amine 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-(113C)methyl-1,3-thiazol-5-amine?
The IUPAC name of 2-(113C)methyl-1,3-thiazol-5-amine (CID 132647797) is 2-(113C)methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(113C)methyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-(113C)methyl-1,3-thiazol-5-amine is [13CH3]c1ncc(N)s1.
What is the InChIKey of 2-(113C)methyl-1,3-thiazol-5-amine?
The InChIKey is IDSUZAVUCMIBBS-OUBTZVSYSA-N. The full InChI is InChI=1S/C4H6N2S/c1-3-6-2-4(5)7-3/h2H,5H2,1H3/i1+1.
What are the key properties of 2-(113C)methyl-1,3-thiazol-5-amine?
2-(113C)methyl-1,3-thiazol-5-amine has a molecular weight of 115.17 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(113C)methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 132647797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).