1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride

C6H9ClN2OS — CID 135889287

IUPAC1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride
SMILESCC(=O)c1sc(N)[nH+]c1C.[Cl-]
InChIInChI=1S/C6H8N2OS.ClH/c1-3-5(4(2)9)10-6(7)8-3;/h1-2H3,(H2,7,8);1H
InChIKeyUCVFFZTUHMGPJC-UHFFFAOYSA-N
MW192.67 g/mol
LogP-2.34
Rot. Bonds1

About 1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride

1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride (PubChem CID 135889287) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride.

Molecular Properties

Compound Name1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride
PubChem CID135889287
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride
SMILESCC(=O)c1sc(N)[nH+]c1C.[Cl-]
InChIInChI=1S/C6H8N2OS.ClH/c1-3-5(4(2)9)10-6(7)8-3;/h1-2H3,(H2,7,8);1H
InChIKeyUCVFFZTUHMGPJC-UHFFFAOYSA-N
XLogP-2.34
TPSA57.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 5-2.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride?
The IUPAC name of 1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride (CID 135889287) is 1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride.
What is the SMILES notation for 1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride?
The canonical SMILES for 1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride is CC(=O)c1sc(N)[nH+]c1C.[Cl-].
What is the InChIKey of 1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride?
The InChIKey is UCVFFZTUHMGPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.ClH/c1-3-5(4(2)9)10-6(7)8-3;/h1-2H3,(H2,7,8);1H.
What are the key properties of 1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride?
1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride has a molecular weight of 192.67 g/mol, XLogP of -2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride is sourced from PubChem (CID 135889287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).