4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile

C20H14N4OS — CID 68632470

IUPAC4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile
SMILESN#Cc1ccc(NC=CCc2nnc(-c3ccccc3)o2)c2ccsc12
InChIInChI=1S/C20H14N4OS/c21-13-15-8-9-17(16-10-12-26-19(15)16)22-11-4-7-18-23-24-20(25-18)14-5-2-1-3-6-14/h1-6,8-12,22H,7H2
InChIKeyQYTZYEDFBWRWIB-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.99
Rot. Bonds5

About 4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile

4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile (PubChem CID 68632470) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile.

Molecular Properties

Compound Name4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile
PubChem CID68632470
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile
SMILESN#Cc1ccc(NC=CCc2nnc(-c3ccccc3)o2)c2ccsc12
InChIInChI=1S/C20H14N4OS/c21-13-15-8-9-17(16-10-12-26-19(15)16)22-11-4-7-18-23-24-20(25-18)14-5-2-1-3-6-14/h1-6,8-12,22H,7H2
InChIKeyQYTZYEDFBWRWIB-UHFFFAOYSA-N
XLogP4.99
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
CID 2714605
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
N-benzamidoformamide;4-(2-hydroxypropylamino)-1-benzothiophene-7-carbonitrile
CID 143851386
N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2390774
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine
CID 110653635
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzonitrile
CID 110651950
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 51140921
2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653804
N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334108
2-bromo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 60683451

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile?
The IUPAC name of 4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile (CID 68632470) is 4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile.
What is the SMILES notation for 4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile?
The canonical SMILES for 4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile is N#Cc1ccc(NC=CCc2nnc(-c3ccccc3)o2)c2ccsc12.
What is the InChIKey of 4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile?
The InChIKey is QYTZYEDFBWRWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c21-13-15-8-9-17(16-10-12-26-19(15)16)22-11-4-7-18-23-24-20(25-18)14-5-2-1-3-6-14/h1-6,8-12,22H,7H2.
What are the key properties of 4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile?
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile has a molecular weight of 358.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-1-enylamino]-1-benzothiophene-7-carbonitrile is sourced from PubChem (CID 68632470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).