(4-methyl-1,3-thiazol-2-yl) formate

C5H5NO2S — CID 123312036

IUPAC(4-methyl-1,3-thiazol-2-yl) formate
SMILESCc1csc(OC=O)n1
InChIInChI=1S/C5H5NO2S/c1-4-2-9-5(6-4)8-3-7/h2-3H,1H3
InChIKeyJXVPJKOZBJJQJV-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.99
Rot. Bonds2

About (4-methyl-1,3-thiazol-2-yl) formate

(4-methyl-1,3-thiazol-2-yl) formate (PubChem CID 123312036) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-2-yl) formate.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-2-yl) formate
PubChem CID123312036
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name(4-methyl-1,3-thiazol-2-yl) formate
SMILESCc1csc(OC=O)n1
InChIInChI=1S/C5H5NO2S/c1-4-2-9-5(6-4)8-3-7/h2-3H,1H3
InChIKeyJXVPJKOZBJJQJV-UHFFFAOYSA-N
XLogP0.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-2-yl) formate?
The IUPAC name of (4-methyl-1,3-thiazol-2-yl) formate (CID 123312036) is (4-methyl-1,3-thiazol-2-yl) formate.
What is the SMILES notation for (4-methyl-1,3-thiazol-2-yl) formate?
The canonical SMILES for (4-methyl-1,3-thiazol-2-yl) formate is Cc1csc(OC=O)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-2-yl) formate?
The InChIKey is JXVPJKOZBJJQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c1-4-2-9-5(6-4)8-3-7/h2-3H,1H3.
What are the key properties of (4-methyl-1,3-thiazol-2-yl) formate?
(4-methyl-1,3-thiazol-2-yl) formate has a molecular weight of 143.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-2-yl) formate is sourced from PubChem (CID 123312036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).