1,3-thiazol-2-ylmethanol

C4H5NOS — CID 2795213

IUPAC1,3-thiazol-2-ylmethanol
SMILESOCc1nccs1
InChIInChI=1S/C4H5NOS/c6-3-4-5-1-2-7-4/h1-2,6H,3H2
InChIKeyJNHDLNXNYPLBMJ-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.64
Rot. Bonds1

About 1,3-thiazol-2-ylmethanol

1,3-thiazol-2-ylmethanol (PubChem CID 2795213) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethanol.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethanol
PubChem CID2795213
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name1,3-thiazol-2-ylmethanol
SMILESOCc1nccs1
InChIInChI=1S/C4H5NOS/c6-3-4-5-1-2-7-4/h1-2,6H,3H2
InChIKeyJNHDLNXNYPLBMJ-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 1,3-thiazol-2-ylmethanol?
The IUPAC name of 1,3-thiazol-2-ylmethanol (CID 2795213) is 1,3-thiazol-2-ylmethanol.
What is the SMILES notation for 1,3-thiazol-2-ylmethanol?
The canonical SMILES for 1,3-thiazol-2-ylmethanol is OCc1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylmethanol?
The InChIKey is JNHDLNXNYPLBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c6-3-4-5-1-2-7-4/h1-2,6H,3H2.
What are the key properties of 1,3-thiazol-2-ylmethanol?
1,3-thiazol-2-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 1,3-thiazol-2-ylmethanol is sourced from PubChem (CID 2795213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).