3-methyl-1,2-thiazol-2-ium-5-amine chloride

C4H7ClN2S — CID 134908066

IUPAC3-methyl-1,2-thiazol-2-ium-5-amine chloride
SMILESCc1cc(N)s[nH+]1.[Cl-]
InChIInChI=1S/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H
InChIKeyZRTGHKVPFXNDHE-UHFFFAOYSA-N
MW150.63 g/mol
LogP-2.54
Rot. Bonds

About 3-methyl-1,2-thiazol-2-ium-5-amine chloride

3-methyl-1,2-thiazol-2-ium-5-amine chloride (PubChem CID 134908066) has the molecular formula C4H7ClN2S and a molecular weight of 150.63 g/mol. Its IUPAC name is 3-methyl-1,2-thiazol-2-ium-5-amine chloride.

Molecular Properties

Compound Name3-methyl-1,2-thiazol-2-ium-5-amine chloride
PubChem CID134908066
Molecular FormulaC4H7ClN2S
Molecular Weight150.63 g/mol
Exact Mass150.00
IUPAC Name3-methyl-1,2-thiazol-2-ium-5-amine chloride
SMILESCc1cc(N)s[nH+]1.[Cl-]
InChIInChI=1S/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H
InChIKeyZRTGHKVPFXNDHE-UHFFFAOYSA-N
XLogP-2.54
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.63
LogP ≤ 5-2.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,2-thiazol-2-ium-5-amine chloride 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-methyl-1,2-thiazol-2-ium-5-amine chloride?
The IUPAC name of 3-methyl-1,2-thiazol-2-ium-5-amine chloride (CID 134908066) is 3-methyl-1,2-thiazol-2-ium-5-amine chloride.
What is the SMILES notation for 3-methyl-1,2-thiazol-2-ium-5-amine chloride?
The canonical SMILES for 3-methyl-1,2-thiazol-2-ium-5-amine chloride is Cc1cc(N)s[nH+]1.[Cl-].
What is the InChIKey of 3-methyl-1,2-thiazol-2-ium-5-amine chloride?
The InChIKey is ZRTGHKVPFXNDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H.
What are the key properties of 3-methyl-1,2-thiazol-2-ium-5-amine chloride?
3-methyl-1,2-thiazol-2-ium-5-amine chloride has a molecular weight of 150.63 g/mol, XLogP of -2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-thiazol-2-ium-5-amine chloride is sourced from PubChem (CID 134908066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).