ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate

C10H15NO2S — CID 21086091

IUPACethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(C)C)s1
InChIInChI=1S/C10H15NO2S/c1-4-13-10(12)8-6-11-9(14-8)5-7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyYDNOXWLRKRDGMX-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.52
Rot. Bonds4

About ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate

ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate (PubChem CID 21086091) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate
PubChem CID21086091
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(C)C)s1
InChIInChI=1S/C10H15NO2S/c1-4-13-10(12)8-6-11-9(14-8)5-7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyYDNOXWLRKRDGMX-UHFFFAOYSA-N
XLogP2.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate (CID 21086091) is ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(CC(C)C)s1.
What is the InChIKey of ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate?
The InChIKey is YDNOXWLRKRDGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-13-10(12)8-6-11-9(14-8)5-7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate has a molecular weight of 213.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpropyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 21086091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).