2-amino-5-methyl-1,3-thiazol-3-ium-4-one

C4H7N2OS+ — CID 5060342

IUPAC2-amino-5-methyl-1,3-thiazol-3-ium-4-one
SMILESCC1SC(N)=[NH+]C1=O
InChIInChI=1S/C4H6N2OS/c1-2-3(7)6-4(5)8-2/h2H,1H3,(H2,5,6,7)/p+1
InChIKeyKFQICKLJAUSMRR-UHFFFAOYSA-O
MW131.18 g/mol
LogP-1.96
Rot. Bonds

About 2-amino-5-methyl-1,3-thiazol-3-ium-4-one

2-amino-5-methyl-1,3-thiazol-3-ium-4-one (PubChem CID 5060342) has the molecular formula C4H7N2OS+ and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-amino-5-methyl-1,3-thiazol-3-ium-4-one.

Molecular Properties

Compound Name2-amino-5-methyl-1,3-thiazol-3-ium-4-one
PubChem CID5060342
Molecular FormulaC4H7N2OS+
Molecular Weight131.18 g/mol
Exact Mass131.03
IUPAC Name2-amino-5-methyl-1,3-thiazol-3-ium-4-one
SMILESCC1SC(N)=[NH+]C1=O
InChIInChI=1S/C4H6N2OS/c1-2-3(7)6-4(5)8-2/h2H,1H3,(H2,5,6,7)/p+1
InChIKeyKFQICKLJAUSMRR-UHFFFAOYSA-O
XLogP-1.96
TPSA57.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-1,3-thiazol-3-ium-4-one?
The IUPAC name of 2-amino-5-methyl-1,3-thiazol-3-ium-4-one (CID 5060342) is 2-amino-5-methyl-1,3-thiazol-3-ium-4-one.
What is the SMILES notation for 2-amino-5-methyl-1,3-thiazol-3-ium-4-one?
The canonical SMILES for 2-amino-5-methyl-1,3-thiazol-3-ium-4-one is CC1SC(N)=[NH+]C1=O.
What is the InChIKey of 2-amino-5-methyl-1,3-thiazol-3-ium-4-one?
The InChIKey is KFQICKLJAUSMRR-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2OS/c1-2-3(7)6-4(5)8-2/h2H,1H3,(H2,5,6,7)/p+1.
What are the key properties of 2-amino-5-methyl-1,3-thiazol-3-ium-4-one?
2-amino-5-methyl-1,3-thiazol-3-ium-4-one has a molecular weight of 131.18 g/mol, XLogP of -1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-1,3-thiazol-3-ium-4-one is sourced from PubChem (CID 5060342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).