1,2-thiazol-3-ylmethanol

C4H5NOS — CID 18361854

IUPAC1,2-thiazol-3-ylmethanol
SMILESOCc1ccsn1
InChIInChI=1S/C4H5NOS/c6-3-4-1-2-7-5-4/h1-2,6H,3H2
InChIKeyCITJCTCNTRIEKZ-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.64
Rot. Bonds1

About 1,2-thiazol-3-ylmethanol

1,2-thiazol-3-ylmethanol (PubChem CID 18361854) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 1,2-thiazol-3-ylmethanol.

Molecular Properties

Compound Name1,2-thiazol-3-ylmethanol
PubChem CID18361854
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name1,2-thiazol-3-ylmethanol
SMILESOCc1ccsn1
InChIInChI=1S/C4H5NOS/c6-3-4-1-2-7-5-4/h1-2,6H,3H2
InChIKeyCITJCTCNTRIEKZ-UHFFFAOYSA-N
XLogP0.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-thiazol-3-ylmethanol?
The IUPAC name of 1,2-thiazol-3-ylmethanol (CID 18361854) is 1,2-thiazol-3-ylmethanol.
What is the SMILES notation for 1,2-thiazol-3-ylmethanol?
The canonical SMILES for 1,2-thiazol-3-ylmethanol is OCc1ccsn1.
What is the InChIKey of 1,2-thiazol-3-ylmethanol?
The InChIKey is CITJCTCNTRIEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c6-3-4-1-2-7-5-4/h1-2,6H,3H2.
What are the key properties of 1,2-thiazol-3-ylmethanol?
1,2-thiazol-3-ylmethanol has a molecular weight of 115.16 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazol-3-ylmethanol is sourced from PubChem (CID 18361854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).