N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline

C14H13N3OS — CID 28713589

IUPACN-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccsc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H13N3OS/c1-10-5-6-19-13(10)8-15-12-4-2-3-11(7-12)14-17-16-9-18-14/h2-7,9,15H,8H2,1H3
InChIKeyBEIZPUNJSQJSQN-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.72
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline

N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 28713589) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID28713589
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccsc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H13N3OS/c1-10-5-6-19-13(10)8-15-12-4-2-3-11(7-12)14-17-16-9-18-14/h2-7,9,15H,8H2,1H3
InChIKeyBEIZPUNJSQJSQN-UHFFFAOYSA-N
XLogP3.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28972991
N-[(4-chlorothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 79419872
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43714292
N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62756480
N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66397871
4-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713696
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
CID 64579745
3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 28713579
3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662478
N-(2,2-dimethoxyethyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63685700
2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine
CID 66387317

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline (CID 28713589) is N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline is Cc1ccsc1CNc1cccc(-c2nnco2)c1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is BEIZPUNJSQJSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-5-6-19-13(10)8-15-12-4-2-3-11(7-12)14-17-16-9-18-14/h2-7,9,15H,8H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 271.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 28713589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).