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

C4H4N2O2S — CID 91523119

IUPAC(4-amino-1,2-thiazol-3-yl) formate
SMILESNc1csnc1OC=O
InChIInChI=1S/C4H4N2O2S/c5-3-1-9-6-4(3)8-2-7/h1-2H,5H2
InChIKeyGBOBHIRKFGPOSM-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.26
Rot. Bonds2

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

(4-amino-1,2-thiazol-3-yl) formate (PubChem CID 91523119) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is (4-amino-1,2-thiazol-3-yl) formate.

Molecular Properties

Compound Name(4-amino-1,2-thiazol-3-yl) formate
PubChem CID91523119
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC Name(4-amino-1,2-thiazol-3-yl) formate
SMILESNc1csnc1OC=O
InChIInChI=1S/C4H4N2O2S/c5-3-1-9-6-4(3)8-2-7/h1-2H,5H2
InChIKeyGBOBHIRKFGPOSM-UHFFFAOYSA-N
XLogP0.26
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-1,2-thiazol-3-yl) formate?
The IUPAC name of (4-amino-1,2-thiazol-3-yl) formate (CID 91523119) is (4-amino-1,2-thiazol-3-yl) formate.
What is the SMILES notation for (4-amino-1,2-thiazol-3-yl) formate?
The canonical SMILES for (4-amino-1,2-thiazol-3-yl) formate is Nc1csnc1OC=O.
What is the InChIKey of (4-amino-1,2-thiazol-3-yl) formate?
The InChIKey is GBOBHIRKFGPOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c5-3-1-9-6-4(3)8-2-7/h1-2H,5H2.
What are the key properties of (4-amino-1,2-thiazol-3-yl) formate?
(4-amino-1,2-thiazol-3-yl) formate has a molecular weight of 144.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2-thiazol-3-yl) formate is sourced from PubChem (CID 91523119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).