4-cyclopropyl-1,3-thiazole-2-carboxylate

C7H6NO2S- — CID 51606522

IUPAC4-cyclopropyl-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1nc(C2CC2)cs1
InChIInChI=1S/C7H7NO2S/c9-7(10)6-8-5(3-11-6)4-1-2-4/h3-4H,1-2H2,(H,9,10)/p-1
InChIKeyWAAIEZKJACRUDB-UHFFFAOYSA-M
MW168.20 g/mol
LogP0.38
Rot. Bonds2

About 4-cyclopropyl-1,3-thiazole-2-carboxylate

4-cyclopropyl-1,3-thiazole-2-carboxylate (PubChem CID 51606522) has the molecular formula C7H6NO2S- and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Name4-cyclopropyl-1,3-thiazole-2-carboxylate
PubChem CID51606522
Molecular FormulaC7H6NO2S-
Molecular Weight168.20 g/mol
Exact Mass168.01
IUPAC Name4-cyclopropyl-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1nc(C2CC2)cs1
InChIInChI=1S/C7H7NO2S/c9-7(10)6-8-5(3-11-6)4-1-2-4/h3-4H,1-2H2,(H,9,10)/p-1
InChIKeyWAAIEZKJACRUDB-UHFFFAOYSA-M
XLogP0.38
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,3-thiazole-2-carboxylate?
The IUPAC name of 4-cyclopropyl-1,3-thiazole-2-carboxylate (CID 51606522) is 4-cyclopropyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for 4-cyclopropyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for 4-cyclopropyl-1,3-thiazole-2-carboxylate is O=C([O-])c1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-1,3-thiazole-2-carboxylate?
The InChIKey is WAAIEZKJACRUDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO2S/c9-7(10)6-8-5(3-11-6)4-1-2-4/h3-4H,1-2H2,(H,9,10)/p-1.
What are the key properties of 4-cyclopropyl-1,3-thiazole-2-carboxylate?
4-cyclopropyl-1,3-thiazole-2-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 51606522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).