[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate

C18H17N3O3S2 — CID 8668070

IUPAC[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C18H17N3O3S2/c1-2-13-17(26-21-20-13)18(23)24-11-15(22)19-16(14-9-6-10-25-14)12-7-4-3-5-8-12/h3-10,16H,2,11H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyQLMRFMVAHIDTIQ-INIZCTEOSA-N
MW387.49 g/mol
LogP3.22
Rot. Bonds7

About [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate

[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8668070) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8668070
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C18H17N3O3S2/c1-2-13-17(26-21-20-13)18(23)24-11-15(22)19-16(14-9-6-10-25-14)12-7-4-3-5-8-12/h3-10,16H,2,11H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyQLMRFMVAHIDTIQ-INIZCTEOSA-N
XLogP3.22
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate with MolForge

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Related Compounds

[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8668067
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230022
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2,6-difluorobenzoate
CID 46828846
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-acetamidobenzoate
CID 9016060
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (E)-but-2-enoate
CID 9081020
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-chloropyridine-3-carboxylate
CID 9013889
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3,4-difluorobenzoate
CID 9490821
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-acetamidobenzoate
CID 9491556

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate (CID 8668070) is [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is QLMRFMVAHIDTIQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-2-13-17(26-21-20-13)18(23)24-11-15(22)19-16(14-9-6-10-25-14)12-7-4-3-5-8-12/h3-10,16H,2,11H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate?
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 387.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8668070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).