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

C7H9NO2S — CID 90973112

IUPACpropan-2-yl 1,3-thiazole-2-carboxylate
SMILESCC(C)OC(=O)c1nccs1
InChIInChI=1S/C7H9NO2S/c1-5(2)10-7(9)6-8-3-4-11-6/h3-5H,1-2H3
InChIKeyWOCBUWGNQAMXNW-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.71
Rot. Bonds2

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

propan-2-yl 1,3-thiazole-2-carboxylate (PubChem CID 90973112) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is propan-2-yl 1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1,3-thiazole-2-carboxylate
PubChem CID90973112
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namepropan-2-yl 1,3-thiazole-2-carboxylate
SMILESCC(C)OC(=O)c1nccs1
InChIInChI=1S/C7H9NO2S/c1-5(2)10-7(9)6-8-3-4-11-6/h3-5H,1-2H3
InChIKeyWOCBUWGNQAMXNW-UHFFFAOYSA-N
XLogP1.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1,3-thiazole-2-carboxylate?
The IUPAC name of propan-2-yl 1,3-thiazole-2-carboxylate (CID 90973112) is propan-2-yl 1,3-thiazole-2-carboxylate.
What is the SMILES notation for propan-2-yl 1,3-thiazole-2-carboxylate?
The canonical SMILES for propan-2-yl 1,3-thiazole-2-carboxylate is CC(C)OC(=O)c1nccs1.
What is the InChIKey of propan-2-yl 1,3-thiazole-2-carboxylate?
The InChIKey is WOCBUWGNQAMXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5(2)10-7(9)6-8-3-4-11-6/h3-5H,1-2H3.
What are the key properties of propan-2-yl 1,3-thiazole-2-carboxylate?
propan-2-yl 1,3-thiazole-2-carboxylate has a molecular weight of 171.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1,3-thiazole-2-carboxylate is sourced from PubChem (CID 90973112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).