ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate

C13H20N2O2S2 — CID 79653635

IUPACethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(Sc2nccs2)C1
InChIInChI=1S/C13H20N2O2S2/c1-3-15-13(11(16)17-4-2)6-5-10(9-13)19-12-14-7-8-18-12/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyKCSBAQNOBFAZNM-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.70
Rot. Bonds6

About ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate

ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate (PubChem CID 79653635) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate
PubChem CID79653635
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Nameethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(Sc2nccs2)C1
InChIInChI=1S/C13H20N2O2S2/c1-3-15-13(11(16)17-4-2)6-5-10(9-13)19-12-14-7-8-18-12/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyKCSBAQNOBFAZNM-UHFFFAOYSA-N
XLogP2.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(ethylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654016
ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654009
1-(propylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79654184
methyl 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate
CID 79654258
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79587926
1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide
CID 79635302
ethyl 1-(ethylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634825
ethyl 1-(ethylamino)-3-pentylsulfanylcyclopentane-1-carboxylate
CID 107755552
ethyl 1-(ethylamino)-3-(3-hydroxypropylsulfanyl)cyclopentane-1-carboxylate
CID 79656004
ethyl 1-(ethylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
CID 79635597
ethyl 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate
CID 79635465

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate (CID 79653635) is ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCC(Sc2nccs2)C1.
What is the InChIKey of ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate?
The InChIKey is KCSBAQNOBFAZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-3-15-13(11(16)17-4-2)6-5-10(9-13)19-12-14-7-8-18-12/h7-8,10,15H,3-6,9H2,1-2H3.
What are the key properties of ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate?
ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate has a molecular weight of 300.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79653635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).