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

C14H17N3O3S — CID 103379207

IUPACethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCCOc1ccccc1
InChIInChI=1S/C14H17N3O3S/c1-2-19-14(18)11-12(15)17-21-13(11)16-8-9-20-10-6-4-3-5-7-10/h3-7,16H,2,8-9H2,1H3,(H2,15,17)
InChIKeyMYWVZQJQBYSXPP-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.39
Rot. Bonds7

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

ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate (PubChem CID 103379207) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate
PubChem CID103379207
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Nameethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCCOc1ccccc1
InChIInChI=1S/C14H17N3O3S/c1-2-19-14(18)11-12(15)17-21-13(11)16-8-9-20-10-6-4-3-5-7-10/h3-7,16H,2,8-9H2,1H3,(H2,15,17)
InChIKeyMYWVZQJQBYSXPP-UHFFFAOYSA-N
XLogP2.39
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide
CID 103379210
methyl 3-amino-5-[2-(3-methylphenoxy)ethylamino]-1,2-thiazole-4-carboxylate
CID 103379213
ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
CID 14171364
methyl 3-amino-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylate
CID 103382532
ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
CID 103384165
ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
ethyl 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 106174609
ethyl 3-amino-5-[(3-fluorophenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103382737
ethyl 3-amino-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383657
ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
CID 106015648
ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate
CID 103381303

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate (CID 103379207) is ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1NCCOc1ccccc1.
What is the InChIKey of ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is MYWVZQJQBYSXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-19-14(18)11-12(15)17-21-13(11)16-8-9-20-10-6-4-3-5-7-10/h3-7,16H,2,8-9H2,1H3,(H2,15,17).
What are the key properties of ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 307.38 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103379207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).