ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate

C14H21NO2S — CID 69484821

IUPACethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CC)nc1CC1CCCC1
InChIInChI=1S/C14H21NO2S/c1-3-12-15-11(9-10-7-5-6-8-10)13(18-12)14(16)17-4-2/h10H,3-9H2,1-2H3
InChIKeyCOCZDQQIEKGOIC-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.61
Rot. Bonds5

About ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate

ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 69484821) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate
PubChem CID69484821
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nameethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CC)nc1CC1CCCC1
InChIInChI=1S/C14H21NO2S/c1-3-12-15-11(9-10-7-5-6-8-10)13(18-12)14(16)17-4-2/h10H,3-9H2,1-2H3
InChIKeyCOCZDQQIEKGOIC-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate (CID 69484821) is ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(CC)nc1CC1CCCC1.
What is the InChIKey of ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is COCZDQQIEKGOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-12-15-11(9-10-7-5-6-8-10)13(18-12)14(16)17-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate?
ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 69484821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).