ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C14H17N3O2S — CID 103570056

IUPACethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(-c3cnn(CC)c3)nc21
InChIInChI=1S/C14H17N3O2S/c1-3-17-8-9(7-15-17)13-16-12-10(14(18)19-4-2)5-6-11(12)20-13/h7-8,10H,3-6H2,1-2H3
InChIKeyWYKMRHSJWILMAX-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.62
Rot. Bonds4

About ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 103570056) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID103570056
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Nameethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(-c3cnn(CC)c3)nc21
InChIInChI=1S/C14H17N3O2S/c1-3-17-8-9(7-15-17)13-16-12-10(14(18)19-4-2)5-6-11(12)20-13/h7-8,10H,3-6H2,1-2H3
InChIKeyWYKMRHSJWILMAX-UHFFFAOYSA-N
XLogP2.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 103570056) is ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(-c3cnn(CC)c3)nc21.
What is the InChIKey of ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is WYKMRHSJWILMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-17-8-9(7-15-17)13-16-12-10(14(18)19-4-2)5-6-11(12)20-13/h7-8,10H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 291.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 103570056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).