N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide

C14H13N3O3S2 — CID 46959372

IUPACN-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cccs1
InChIInChI=1S/C14H13N3O3S2/c1-9(15-12(18)10-4-2-6-21-10)8-17-14(19)20-13(16-17)11-5-3-7-22-11/h2-7,9H,8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyGQYGOTSFZIGMEB-VIFPVBQESA-N
MW335.41 g/mol
LogP2.44
Rot. Bonds5

About N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 46959372) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
PubChem CID46959372
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC NameN-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cccs1
InChIInChI=1S/C14H13N3O3S2/c1-9(15-12(18)10-4-2-6-21-10)8-17-14(19)20-13(16-17)11-5-3-7-22-11/h2-7,9H,8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyGQYGOTSFZIGMEB-VIFPVBQESA-N
XLogP2.44
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide
CID 16671800
3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 119033318
3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 95849400
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 95791882
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide
CID 95791881
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40790864
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 17397101

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide (CID 46959372) is N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide is C[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cccs1.
What is the InChIKey of N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is GQYGOTSFZIGMEB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-9(15-12(18)10-4-2-6-21-10)8-17-14(19)20-13(16-17)11-5-3-7-22-11/h2-7,9H,8H2,1H3,(H,15,18)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46959372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).