2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide

C16H14N4O3S2 — CID 78668010

IUPAC2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
SMILESCC(Sc1nnc(-c2ccccc2)o1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H14N4O3S2/c1-9(13(22)18-15-11(12(17)21)7-8-24-15)25-16-20-19-14(23-16)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,21)(H,18,22)
InChIKeyPEAXAKATMJNETR-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.02
Rot. Bonds6

About 2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide

2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide (PubChem CID 78668010) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
PubChem CID78668010
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
SMILESCC(Sc1nnc(-c2ccccc2)o1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H14N4O3S2/c1-9(13(22)18-15-11(12(17)21)7-8-24-15)25-16-20-19-14(23-16)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,21)(H,18,22)
InChIKeyPEAXAKATMJNETR-UHFFFAOYSA-N
XLogP3.02
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8557167
2-[[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 135588084
2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
CID 41321505
(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2638577
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
2-[[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8739840
N-(3,5-dichlorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16537072
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 47119494
(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 94188894
(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 7556769
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7459297
(2S)-N-(4-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 9362235

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide (CID 78668010) is 2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide is CC(Sc1nnc(-c2ccccc2)o1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide?
The InChIKey is PEAXAKATMJNETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-9(13(22)18-15-11(12(17)21)7-8-24-15)25-16-20-19-14(23-16)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,21)(H,18,22).
What are the key properties of 2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide?
2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 78668010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).