ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate

C14H23N3O2S — CID 106015648

IUPACethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCCCC1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-2-19-14(18)11-12(15)17-20-13(11)16-9-5-8-10-6-3-4-7-10/h10,16H,2-9H2,1H3,(H2,15,17)
InChIKeyHROQCVVTSATZHW-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.28
Rot. Bonds7

About ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate (PubChem CID 106015648) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
PubChem CID106015648
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCCCC1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-2-19-14(18)11-12(15)17-20-13(11)16-9-5-8-10-6-3-4-7-10/h10,16H,2-9H2,1H3,(H2,15,17)
InChIKeyHROQCVVTSATZHW-UHFFFAOYSA-N
XLogP3.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103381310
methyl 3-amino-5-(2-cyclohexylethylamino)-1,2-thiazole-4-carboxylate
CID 103383128
ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
CID 14171364
5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 114137408
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
ethyl 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383041
ethyl 3-amino-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383657
ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 106174609
ethyl 3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383011

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate (CID 106015648) is ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1NCCCC1CCCC1.
What is the InChIKey of ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is HROQCVVTSATZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-19-14(18)11-12(15)17-20-13(11)16-9-5-8-10-6-3-4-7-10/h10,16H,2-9H2,1H3,(H2,15,17).
What are the key properties of ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 106015648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).