ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C9H11NO2S — CID 91670682

IUPACethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2scnc21
InChIInChI=1S/C9H11NO2S/c1-2-12-9(11)6-3-4-7-8(6)10-5-13-7/h5-6H,2-4H2,1H3
InChIKeyMFXNKZOQSGATOY-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.74
Rot. Bonds2

About ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 91670682) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID91670682
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Nameethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2scnc21
InChIInChI=1S/C9H11NO2S/c1-2-12-9(11)6-3-4-7-8(6)10-5-13-7/h5-6H,2-4H2,1H3
InChIKeyMFXNKZOQSGATOY-UHFFFAOYSA-N
XLogP1.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 91670682) is ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2scnc21.
What is the InChIKey of ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is MFXNKZOQSGATOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-12-9(11)6-3-4-7-8(6)10-5-13-7/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 197.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 91670682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).