1,3-thiazole;hydrate

C3H5NOS — CID 18680725

IUPAC1,3-thiazole;hydrate
SMILESO.c1cscn1
InChIInChI=1S/C3H3NS.H2O/c1-2-5-3-4-1;/h1-3H;1H2
InChIKeyWMEPIQQSGOIFIO-UHFFFAOYSA-N
MW103.15 g/mol
LogP0.32
Rot. Bonds

About 1,3-thiazole;hydrate

1,3-thiazole;hydrate (PubChem CID 18680725) has the molecular formula C3H5NOS and a molecular weight of 103.15 g/mol. Its IUPAC name is 1,3-thiazole;hydrate.

Molecular Properties

Compound Name1,3-thiazole;hydrate
PubChem CID18680725
Molecular FormulaC3H5NOS
Molecular Weight103.15 g/mol
Exact Mass103.01
IUPAC Name1,3-thiazole;hydrate
SMILESO.c1cscn1
InChIInChI=1S/C3H3NS.H2O/c1-2-5-3-4-1;/h1-3H;1H2
InChIKeyWMEPIQQSGOIFIO-UHFFFAOYSA-N
XLogP0.32
TPSA44.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.15
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole;hydrate?
The IUPAC name of 1,3-thiazole;hydrate (CID 18680725) is 1,3-thiazole;hydrate.
What is the SMILES notation for 1,3-thiazole;hydrate?
The canonical SMILES for 1,3-thiazole;hydrate is O.c1cscn1.
What is the InChIKey of 1,3-thiazole;hydrate?
The InChIKey is WMEPIQQSGOIFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS.H2O/c1-2-5-3-4-1;/h1-3H;1H2.
What are the key properties of 1,3-thiazole;hydrate?
1,3-thiazole;hydrate has a molecular weight of 103.15 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole;hydrate is sourced from PubChem (CID 18680725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).