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

C4H7N2S+ — CID 24848379

IUPAC3-methyl-1,2-thiazol-2-ium-5-amine
SMILESCc1cc(N)s[nH+]1
InChIInChI=1S/C4H6N2S/c1-3-2-4(5)7-6-3/h2H,5H2,1H3/p+1
InChIKeyCQMHIXRPQGPCNT-UHFFFAOYSA-O
MW115.18 g/mol
LogP0.45
Rot. Bonds

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

3-methyl-1,2-thiazol-2-ium-5-amine (PubChem CID 24848379) has the molecular formula C4H7N2S+ and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-methyl-1,2-thiazol-2-ium-5-amine.

Molecular Properties

Compound Name3-methyl-1,2-thiazol-2-ium-5-amine
PubChem CID24848379
Molecular FormulaC4H7N2S+
Molecular Weight115.18 g/mol
Exact Mass115.03
IUPAC Name3-methyl-1,2-thiazol-2-ium-5-amine
SMILESCc1cc(N)s[nH+]1
InChIInChI=1S/C4H6N2S/c1-3-2-4(5)7-6-3/h2H,5H2,1H3/p+1
InChIKeyCQMHIXRPQGPCNT-UHFFFAOYSA-O
XLogP0.45
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-thiazol-2-ium-5-amine?
The IUPAC name of 3-methyl-1,2-thiazol-2-ium-5-amine (CID 24848379) is 3-methyl-1,2-thiazol-2-ium-5-amine.
What is the SMILES notation for 3-methyl-1,2-thiazol-2-ium-5-amine?
The canonical SMILES for 3-methyl-1,2-thiazol-2-ium-5-amine is Cc1cc(N)s[nH+]1.
What is the InChIKey of 3-methyl-1,2-thiazol-2-ium-5-amine?
The InChIKey is CQMHIXRPQGPCNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2S/c1-3-2-4(5)7-6-3/h2H,5H2,1H3/p+1.
What are the key properties of 3-methyl-1,2-thiazol-2-ium-5-amine?
3-methyl-1,2-thiazol-2-ium-5-amine has a molecular weight of 115.18 g/mol, XLogP of 0.45, 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 is sourced from PubChem (CID 24848379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).