2H-1,3-thiazol-3-ide 1-oxide

C3H4NOS- — CID 53442811

IUPAC2H-1,3-thiazol-3-ide 1-oxide
SMILESO=S1C=C[N-]C1
InChIInChI=1S/C3H4NOS/c5-6-2-1-4-3-6/h1-2H,3H2/q-1
InChIKeyGPBLYHOHVXSGRF-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.55
Rot. Bonds

About 2H-1,3-thiazol-3-ide 1-oxide

2H-1,3-thiazol-3-ide 1-oxide (PubChem CID 53442811) has the molecular formula C3H4NOS- and a molecular weight of 102.14 g/mol. Its IUPAC name is 2H-1,3-thiazol-3-ide 1-oxide.

Molecular Properties

Compound Name2H-1,3-thiazol-3-ide 1-oxide
PubChem CID53442811
Molecular FormulaC3H4NOS-
Molecular Weight102.14 g/mol
Exact Mass102.00
IUPAC Name2H-1,3-thiazol-3-ide 1-oxide
SMILESO=S1C=C[N-]C1
InChIInChI=1S/C3H4NOS/c5-6-2-1-4-3-6/h1-2H,3H2/q-1
InChIKeyGPBLYHOHVXSGRF-UHFFFAOYSA-N
XLogP0.55
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-1,3-thiazol-3-ide 1-oxide?
The IUPAC name of 2H-1,3-thiazol-3-ide 1-oxide (CID 53442811) is 2H-1,3-thiazol-3-ide 1-oxide.
What is the SMILES notation for 2H-1,3-thiazol-3-ide 1-oxide?
The canonical SMILES for 2H-1,3-thiazol-3-ide 1-oxide is O=S1C=C[N-]C1.
What is the InChIKey of 2H-1,3-thiazol-3-ide 1-oxide?
The InChIKey is GPBLYHOHVXSGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NOS/c5-6-2-1-4-3-6/h1-2H,3H2/q-1.
What are the key properties of 2H-1,3-thiazol-3-ide 1-oxide?
2H-1,3-thiazol-3-ide 1-oxide has a molecular weight of 102.14 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-thiazol-3-ide 1-oxide is sourced from PubChem (CID 53442811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).