1,3-thiazole

C3H3NS — CID 9256

IUPAC1,3-thiazole
SMILESc1cscn1
InChIInChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
InChIKeyFZWLAAWBMGSTSO-UHFFFAOYSA-N
MW85.13 g/mol
LogP1.14
Rot. Bonds

About 1,3-thiazole

1,3-thiazole (PubChem CID 9256) has the molecular formula C3H3NS and a molecular weight of 85.13 g/mol. Its IUPAC name is 1,3-thiazole.

Molecular Properties

Compound Name1,3-thiazole
PubChem CID9256
Molecular FormulaC3H3NS
Molecular Weight85.13 g/mol
Exact Mass85.00
IUPAC Name1,3-thiazole
SMILESc1cscn1
InChIInChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
InChIKeyFZWLAAWBMGSTSO-UHFFFAOYSA-N
XLogP1.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.13
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole?
The IUPAC name of 1,3-thiazole (CID 9256) is 1,3-thiazole.
What is the SMILES notation for 1,3-thiazole?
The canonical SMILES for 1,3-thiazole is c1cscn1.
What is the InChIKey of 1,3-thiazole?
The InChIKey is FZWLAAWBMGSTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H.
What are the key properties of 1,3-thiazole?
1,3-thiazole has a molecular weight of 85.13 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole is sourced from PubChem (CID 9256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).