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

C15H24N2O2S2 — CID 79587926

IUPACethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC1CCSc1nccs1
InChIInChI=1S/C15H24N2O2S2/c1-3-17-15(13(18)19-4-2)8-5-6-12(15)7-10-20-14-16-9-11-21-14/h9,11-12,17H,3-8,10H2,1-2H3
InChIKeyICGCSXYJVNQXGN-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.34
Rot. Bonds8

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

ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79587926) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
PubChem CID79587926
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Nameethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC1CCSc1nccs1
InChIInChI=1S/C15H24N2O2S2/c1-3-17-15(13(18)19-4-2)8-5-6-12(15)7-10-20-14-16-9-11-21-14/h9,11-12,17H,3-8,10H2,1-2H3
InChIKeyICGCSXYJVNQXGN-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol
CID 79581805
ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate
CID 79653635
1-(ethylamino)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79588075
methyl 1-(ethylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603829
ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603859
methyl 1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79586715
ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571764
ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79576464
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 106925423
ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
CID 79576046
2-[2-(4-chlorophenyl)sulfanylethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79588248
1-(ethylamino)-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxylic acid
CID 79588545

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate (CID 79587926) is ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCCC1CCSc1nccs1.
What is the InChIKey of ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is ICGCSXYJVNQXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-17-15(13(18)19-4-2)8-5-6-12(15)7-10-20-14-16-9-11-21-14/h9,11-12,17H,3-8,10H2,1-2H3.
What are the key properties of ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate?
ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 328.50 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79587926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).