propyl 3-methyl-1,2-thiazole-5-carboxylate

C8H11NO2S — CID 135122962

IUPACpropyl 3-methyl-1,2-thiazole-5-carboxylate
SMILESCCCOC(=O)c1cc(C)ns1
InChIInChI=1S/C8H11NO2S/c1-3-4-11-8(10)7-5-6(2)9-12-7/h5H,3-4H2,1-2H3
InChIKeyLHVOYVNEYQWTLW-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.02
Rot. Bonds3

About propyl 3-methyl-1,2-thiazole-5-carboxylate

propyl 3-methyl-1,2-thiazole-5-carboxylate (PubChem CID 135122962) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is propyl 3-methyl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropyl 3-methyl-1,2-thiazole-5-carboxylate
PubChem CID135122962
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namepropyl 3-methyl-1,2-thiazole-5-carboxylate
SMILESCCCOC(=O)c1cc(C)ns1
InChIInChI=1S/C8H11NO2S/c1-3-4-11-8(10)7-5-6(2)9-12-7/h5H,3-4H2,1-2H3
InChIKeyLHVOYVNEYQWTLW-UHFFFAOYSA-N
XLogP2.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 3-methyl-1,2-thiazole-5-carboxylate?
The IUPAC name of propyl 3-methyl-1,2-thiazole-5-carboxylate (CID 135122962) is propyl 3-methyl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for propyl 3-methyl-1,2-thiazole-5-carboxylate?
The canonical SMILES for propyl 3-methyl-1,2-thiazole-5-carboxylate is CCCOC(=O)c1cc(C)ns1.
What is the InChIKey of propyl 3-methyl-1,2-thiazole-5-carboxylate?
The InChIKey is LHVOYVNEYQWTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-4-11-8(10)7-5-6(2)9-12-7/h5H,3-4H2,1-2H3.
What are the key properties of propyl 3-methyl-1,2-thiazole-5-carboxylate?
propyl 3-methyl-1,2-thiazole-5-carboxylate has a molecular weight of 185.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-methyl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 135122962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).