1,2-thiazol-3-one;hydrochloride

C3H4ClNOS — CID 18783296

IUPAC1,2-thiazol-3-one;hydrochloride
SMILESCl.O=c1ccs[nH]1
InChIInChI=1S/C3H3NOS.ClH/c5-3-1-2-6-4-3;/h1-2H,(H,4,5);1H
InChIKeyMRMXGUGGUKTHAC-UHFFFAOYSA-N
MW137.59 g/mol
LogP0.86
Rot. Bonds

About 1,2-thiazol-3-one;hydrochloride

1,2-thiazol-3-one;hydrochloride (PubChem CID 18783296) has the molecular formula C3H4ClNOS and a molecular weight of 137.59 g/mol. Its IUPAC name is 1,2-thiazol-3-one;hydrochloride.

Molecular Properties

Compound Name1,2-thiazol-3-one;hydrochloride
PubChem CID18783296
Molecular FormulaC3H4ClNOS
Molecular Weight137.59 g/mol
Exact Mass136.97
IUPAC Name1,2-thiazol-3-one;hydrochloride
SMILESCl.O=c1ccs[nH]1
InChIInChI=1S/C3H3NOS.ClH/c5-3-1-2-6-4-3;/h1-2H,(H,4,5);1H
InChIKeyMRMXGUGGUKTHAC-UHFFFAOYSA-N
XLogP0.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.59
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-thiazol-3-one;hydrochloride?
The IUPAC name of 1,2-thiazol-3-one;hydrochloride (CID 18783296) is 1,2-thiazol-3-one;hydrochloride.
What is the SMILES notation for 1,2-thiazol-3-one;hydrochloride?
The canonical SMILES for 1,2-thiazol-3-one;hydrochloride is Cl.O=c1ccs[nH]1.
What is the InChIKey of 1,2-thiazol-3-one;hydrochloride?
The InChIKey is MRMXGUGGUKTHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NOS.ClH/c5-3-1-2-6-4-3;/h1-2H,(H,4,5);1H.
What are the key properties of 1,2-thiazol-3-one;hydrochloride?
1,2-thiazol-3-one;hydrochloride has a molecular weight of 137.59 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazol-3-one;hydrochloride is sourced from PubChem (CID 18783296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).