3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride

C4H7ClN2O2S2 — CID 67810461

IUPAC3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride
SMILESCS(=O)(=O)c1cc(N)sn1.Cl
InChIInChI=1S/C4H6N2O2S2.ClH/c1-10(7,8)4-2-3(5)9-6-4;/h2H,5H2,1H3;1H
InChIKeyVQVYWBWSQOIKRM-UHFFFAOYSA-N
MW214.70 g/mol
LogP0.55
Rot. Bonds1

About 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride

3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride (PubChem CID 67810461) has the molecular formula C4H7ClN2O2S2 and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride
PubChem CID67810461
Molecular FormulaC4H7ClN2O2S2
Molecular Weight214.70 g/mol
Exact Mass213.96
IUPAC Name3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride
SMILESCS(=O)(=O)c1cc(N)sn1.Cl
InChIInChI=1S/C4H6N2O2S2.ClH/c1-10(7,8)4-2-3(5)9-6-4;/h2H,5H2,1H3;1H
InChIKeyVQVYWBWSQOIKRM-UHFFFAOYSA-N
XLogP0.55
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride 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 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride?
The IUPAC name of 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride (CID 67810461) is 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride.
What is the SMILES notation for 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride?
The canonical SMILES for 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride is CS(=O)(=O)c1cc(N)sn1.Cl.
What is the InChIKey of 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride?
The InChIKey is VQVYWBWSQOIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S2.ClH/c1-10(7,8)4-2-3(5)9-6-4;/h2H,5H2,1H3;1H.
What are the key properties of 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride?
3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1,2-thiazol-5-amine;hydrochloride is sourced from PubChem (CID 67810461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).