propan-2-yl 2H-1,3-thiazole-3-carboxylate

C7H11NO2S — CID 174561352

IUPACpropan-2-yl 2H-1,3-thiazole-3-carboxylate
SMILESCC(C)OC(=O)N1C=CSC1
InChIInChI=1S/C7H11NO2S/c1-6(2)10-7(9)8-3-4-11-5-8/h3-4,6H,5H2,1-2H3
InChIKeyWJRHFIPORHKBNI-UHFFFAOYSA-N
MW173.24 g/mol
LogP2.01
Rot. Bonds1

About propan-2-yl 2H-1,3-thiazole-3-carboxylate

propan-2-yl 2H-1,3-thiazole-3-carboxylate (PubChem CID 174561352) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is propan-2-yl 2H-1,3-thiazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2H-1,3-thiazole-3-carboxylate
PubChem CID174561352
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Namepropan-2-yl 2H-1,3-thiazole-3-carboxylate
SMILESCC(C)OC(=O)N1C=CSC1
InChIInChI=1S/C7H11NO2S/c1-6(2)10-7(9)8-3-4-11-5-8/h3-4,6H,5H2,1-2H3
InChIKeyWJRHFIPORHKBNI-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2H-1,3-thiazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2H-1,3-thiazole-3-carboxylate?
The IUPAC name of propan-2-yl 2H-1,3-thiazole-3-carboxylate (CID 174561352) is propan-2-yl 2H-1,3-thiazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 2H-1,3-thiazole-3-carboxylate?
The canonical SMILES for propan-2-yl 2H-1,3-thiazole-3-carboxylate is CC(C)OC(=O)N1C=CSC1.
What is the InChIKey of propan-2-yl 2H-1,3-thiazole-3-carboxylate?
The InChIKey is WJRHFIPORHKBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-6(2)10-7(9)8-3-4-11-5-8/h3-4,6H,5H2,1-2H3.
What are the key properties of propan-2-yl 2H-1,3-thiazole-3-carboxylate?
propan-2-yl 2H-1,3-thiazole-3-carboxylate has a molecular weight of 173.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2H-1,3-thiazole-3-carboxylate is sourced from PubChem (CID 174561352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).