[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate

C16H17N3O3S — CID 78719257

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H17N3O3S/c1-2-12-14(23-19-18-12)16(21)22-13(10-6-4-3-5-7-10)15(20)17-11-8-9-11/h3-7,11,13H,2,8-9H2,1H3,(H,17,20)
InChIKeyUREYWBORZZDEFB-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.28
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 78719257) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID78719257
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H17N3O3S/c1-2-12-14(23-19-18-12)16(21)22-13(10-6-4-3-5-7-10)15(20)17-11-8-9-11/h3-7,11,13H,2,8-9H2,1H3,(H,17,20)
InChIKeyUREYWBORZZDEFB-UHFFFAOYSA-N
XLogP2.28
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535111
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927503
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 46824904
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
CID 8641481
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate (CID 78719257) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OC(C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is UREYWBORZZDEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-12-14(23-19-18-12)16(21)22-13(10-6-4-3-5-7-10)15(20)17-11-8-9-11/h3-7,11,13H,2,8-9H2,1H3,(H,17,20).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 331.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 78719257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).