ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate

C13H19N3O2S — CID 106174609

IUPACethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCCC1=CCCC1
InChIInChI=1S/C13H19N3O2S/c1-2-18-13(17)10-11(14)16-19-12(10)15-8-7-9-5-3-4-6-9/h5,15H,2-4,6-8H2,1H3,(H2,14,16)
InChIKeyILVQTKAUTFVGHF-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.81
Rot. Bonds6

About ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate (PubChem CID 106174609) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
PubChem CID106174609
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Nameethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCCC1=CCCC1
InChIInChI=1S/C13H19N3O2S/c1-2-18-13(17)10-11(14)16-19-12(10)15-8-7-9-5-3-4-6-9/h5,15H,2-4,6-8H2,1H3,(H2,14,16)
InChIKeyILVQTKAUTFVGHF-UHFFFAOYSA-N
XLogP2.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-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 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
CID 14171364
ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
CID 106015648
ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate
CID 103379207
3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 107855833
ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
CID 103384165
ethyl 3-amino-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383657
ethyl 3-amino-5-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxylate
CID 103384111
ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103383769
ethyl 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-1,2-thiazole-4-carboxylate
CID 106174655
ethyl 3-amino-5-(3-imidazol-1-ylpropylamino)-1,2-thiazole-4-carboxylate
CID 103382747
methyl 3-amino-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylate
CID 103382532

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate (CID 106174609) is ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1NCCC1=CCCC1.
What is the InChIKey of ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is ILVQTKAUTFVGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-18-13(17)10-11(14)16-19-12(10)15-8-7-9-5-3-4-6-9/h5,15H,2-4,6-8H2,1H3,(H2,14,16).
What are the key properties of ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 106174609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).