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

C14H20N2O3S — CID 103541672

IUPACethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(N3CCC(OC)C3)nc21
InChIInChI=1S/C14H20N2O3S/c1-3-19-13(17)10-4-5-11-12(10)15-14(20-11)16-7-6-9(8-16)18-2/h9-10H,3-8H2,1-2H3
InChIKeyDQKLIDYJFXNZIL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.96
Rot. Bonds4

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

ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 103541672) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID103541672
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(N3CCC(OC)C3)nc21
InChIInChI=1S/C14H20N2O3S/c1-3-19-13(17)10-4-5-11-12(10)15-14(20-11)16-7-6-9(8-16)18-2/h9-10H,3-8H2,1-2H3
InChIKeyDQKLIDYJFXNZIL-UHFFFAOYSA-N
XLogP1.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 103541672) is ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(N3CCC(OC)C3)nc21.
What is the InChIKey of ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is DQKLIDYJFXNZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-19-13(17)10-4-5-11-12(10)15-14(20-11)16-7-6-9(8-16)18-2/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 103541672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).