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

C5H5NO2S — CID 123246825

IUPAC(2-methyl-1,3-thiazol-4-yl) formate
SMILESCc1nc(OC=O)cs1
InChIInChI=1S/C5H5NO2S/c1-4-6-5(2-9-4)8-3-7/h2-3H,1H3
InChIKeyBGPBWTZWHCUMIG-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.99
Rot. Bonds2

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

(2-methyl-1,3-thiazol-4-yl) formate (PubChem CID 123246825) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl) formate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl) formate
PubChem CID123246825
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name(2-methyl-1,3-thiazol-4-yl) formate
SMILESCc1nc(OC=O)cs1
InChIInChI=1S/C5H5NO2S/c1-4-6-5(2-9-4)8-3-7/h2-3H,1H3
InChIKeyBGPBWTZWHCUMIG-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 (2-methyl-1,3-thiazol-4-yl) formate?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl) formate (CID 123246825) is (2-methyl-1,3-thiazol-4-yl) formate.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl) formate?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl) formate is Cc1nc(OC=O)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl) formate?
The InChIKey is BGPBWTZWHCUMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c1-4-6-5(2-9-4)8-3-7/h2-3H,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl) formate?
(2-methyl-1,3-thiazol-4-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 (2-methyl-1,3-thiazol-4-yl) formate is sourced from PubChem (CID 123246825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).