5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile

C15H12N4OS — CID 115743943

IUPAC5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile
SMILESCc1cc(-c2nnco2)ccc1NCc1ccc(C#N)s1
InChIInChI=1S/C15H12N4OS/c1-10-6-11(15-19-18-9-20-15)2-5-14(10)17-8-13-4-3-12(7-16)21-13/h2-6,9,17H,8H2,1H3
InChIKeyMFZQFRCLSRVTOE-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.59
Rot. Bonds4

About 5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile

5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile (PubChem CID 115743943) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile
PubChem CID115743943
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile
SMILESCc1cc(-c2nnco2)ccc1NCc1ccc(C#N)s1
InChIInChI=1S/C15H12N4OS/c1-10-6-11(15-19-18-9-20-15)2-5-14(10)17-8-13-4-3-12(7-16)21-13/h2-6,9,17H,8H2,1H3
InChIKeyMFZQFRCLSRVTOE-UHFFFAOYSA-N
XLogP3.59
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735583
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62345905
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735629
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43735620
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66410267
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62741551
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 66134835
5-[(5-bromo-2-methylanilino)methyl]thiophene-2-carbonitrile
CID 115742776
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735645
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile (CID 115743943) is 5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile is Cc1cc(-c2nnco2)ccc1NCc1ccc(C#N)s1.
What is the InChIKey of 5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile?
The InChIKey is MFZQFRCLSRVTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-10-6-11(15-19-18-9-20-15)2-5-14(10)17-8-13-4-3-12(7-16)21-13/h2-6,9,17H,8H2,1H3.
What are the key properties of 5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile?
5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile has a molecular weight of 296.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115743943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).