2-methylpropyl 1,3-thiazole-2-carboxylate

C8H11NO2S — CID 57129566

IUPAC2-methylpropyl 1,3-thiazole-2-carboxylate
SMILESCC(C)COC(=O)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-6(2)5-11-8(10)7-9-3-4-12-7/h3-4,6H,5H2,1-2H3
InChIKeyAHEWOUBERSVFJM-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.96
Rot. Bonds3

About 2-methylpropyl 1,3-thiazole-2-carboxylate

2-methylpropyl 1,3-thiazole-2-carboxylate (PubChem CID 57129566) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-methylpropyl 1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1,3-thiazole-2-carboxylate
PubChem CID57129566
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-methylpropyl 1,3-thiazole-2-carboxylate
SMILESCC(C)COC(=O)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-6(2)5-11-8(10)7-9-3-4-12-7/h3-4,6H,5H2,1-2H3
InChIKeyAHEWOUBERSVFJM-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1,3-thiazole-2-carboxylate?
The IUPAC name of 2-methylpropyl 1,3-thiazole-2-carboxylate (CID 57129566) is 2-methylpropyl 1,3-thiazole-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 1,3-thiazole-2-carboxylate?
The canonical SMILES for 2-methylpropyl 1,3-thiazole-2-carboxylate is CC(C)COC(=O)c1nccs1.
What is the InChIKey of 2-methylpropyl 1,3-thiazole-2-carboxylate?
The InChIKey is AHEWOUBERSVFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6(2)5-11-8(10)7-9-3-4-12-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-methylpropyl 1,3-thiazole-2-carboxylate?
2-methylpropyl 1,3-thiazole-2-carboxylate has a molecular weight of 185.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1,3-thiazole-2-carboxylate is sourced from PubChem (CID 57129566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).