4,5-dimethyl-1-oxo-1,2-thiazol-3-amine

C5H8N2OS — CID 163514047

IUPAC4,5-dimethyl-1-oxo-1,2-thiazol-3-amine
SMILESCC1=C(C)S(=O)N=C1N
InChIInChI=1S/C5H8N2OS/c1-3-4(2)9(8)7-5(3)6/h1-2H3,(H2,6,7)
InChIKeyDFEFJWBOFQCACG-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.31
Rot. Bonds

About 4,5-dimethyl-1-oxo-1,2-thiazol-3-amine

4,5-dimethyl-1-oxo-1,2-thiazol-3-amine (PubChem CID 163514047) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 4,5-dimethyl-1-oxo-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4,5-dimethyl-1-oxo-1,2-thiazol-3-amine
PubChem CID163514047
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name4,5-dimethyl-1-oxo-1,2-thiazol-3-amine
SMILESCC1=C(C)S(=O)N=C1N
InChIInChI=1S/C5H8N2OS/c1-3-4(2)9(8)7-5(3)6/h1-2H3,(H2,6,7)
InChIKeyDFEFJWBOFQCACG-UHFFFAOYSA-N
XLogP0.31
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-1-oxo-1,2-thiazol-3-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 4,5-dimethyl-1-oxo-1,2-thiazol-3-amine?
The IUPAC name of 4,5-dimethyl-1-oxo-1,2-thiazol-3-amine (CID 163514047) is 4,5-dimethyl-1-oxo-1,2-thiazol-3-amine.
What is the SMILES notation for 4,5-dimethyl-1-oxo-1,2-thiazol-3-amine?
The canonical SMILES for 4,5-dimethyl-1-oxo-1,2-thiazol-3-amine is CC1=C(C)S(=O)N=C1N.
What is the InChIKey of 4,5-dimethyl-1-oxo-1,2-thiazol-3-amine?
The InChIKey is DFEFJWBOFQCACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-3-4(2)9(8)7-5(3)6/h1-2H3,(H2,6,7).
What are the key properties of 4,5-dimethyl-1-oxo-1,2-thiazol-3-amine?
4,5-dimethyl-1-oxo-1,2-thiazol-3-amine has a molecular weight of 144.20 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-oxo-1,2-thiazol-3-amine is sourced from PubChem (CID 163514047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).