2,3-dihydro-1,3-thiazole 1-oxide

C3H5NOS — CID 53442812

IUPAC2,3-dihydro-1,3-thiazole 1-oxide
SMILESO=S1C=CNC1
InChIInChI=1S/C3H5NOS/c5-6-2-1-4-3-6/h1-2,4H,3H2
InChIKeyHRUNFDXWPIPLPS-UHFFFAOYSA-N
MW103.15 g/mol
LogP-0.23
Rot. Bonds

About 2,3-dihydro-1,3-thiazole 1-oxide

2,3-dihydro-1,3-thiazole 1-oxide (PubChem CID 53442812) has the molecular formula C3H5NOS and a molecular weight of 103.15 g/mol. Its IUPAC name is 2,3-dihydro-1,3-thiazole 1-oxide.

Molecular Properties

Compound Name2,3-dihydro-1,3-thiazole 1-oxide
PubChem CID53442812
Molecular FormulaC3H5NOS
Molecular Weight103.15 g/mol
Exact Mass103.01
IUPAC Name2,3-dihydro-1,3-thiazole 1-oxide
SMILESO=S1C=CNC1
InChIInChI=1S/C3H5NOS/c5-6-2-1-4-3-6/h1-2,4H,3H2
InChIKeyHRUNFDXWPIPLPS-UHFFFAOYSA-N
XLogP-0.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-thiazole 1-oxide?
The IUPAC name of 2,3-dihydro-1,3-thiazole 1-oxide (CID 53442812) is 2,3-dihydro-1,3-thiazole 1-oxide.
What is the SMILES notation for 2,3-dihydro-1,3-thiazole 1-oxide?
The canonical SMILES for 2,3-dihydro-1,3-thiazole 1-oxide is O=S1C=CNC1.
What is the InChIKey of 2,3-dihydro-1,3-thiazole 1-oxide?
The InChIKey is HRUNFDXWPIPLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NOS/c5-6-2-1-4-3-6/h1-2,4H,3H2.
What are the key properties of 2,3-dihydro-1,3-thiazole 1-oxide?
2,3-dihydro-1,3-thiazole 1-oxide has a molecular weight of 103.15 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-thiazole 1-oxide is sourced from PubChem (CID 53442812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).