N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline

C14H12BrN3OS — CID 43735629

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1cc(-c2nnco2)ccc1NCc1ccc(Br)s1
InChIInChI=1S/C14H12BrN3OS/c1-9-6-10(14-18-17-8-19-14)2-4-12(9)16-7-11-3-5-13(15)20-11/h2-6,8,16H,7H2,1H3
InChIKeyPAURFZYLFXFNSF-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.48
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline

N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43735629) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43735629
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1cc(-c2nnco2)ccc1NCc1ccc(Br)s1
InChIInChI=1S/C14H12BrN3OS/c1-9-6-10(14-18-17-8-19-14)2-4-12(9)16-7-11-3-5-13(15)20-11/h2-6,8,16H,7H2,1H3
InChIKeyPAURFZYLFXFNSF-UHFFFAOYSA-N
XLogP4.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile
CID 115743943
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
4-[(5-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 43706863
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-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657222

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline (CID 43735629) is N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline is Cc1cc(-c2nnco2)ccc1NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is PAURFZYLFXFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c1-9-6-10(14-18-17-8-19-14)2-4-12(9)16-7-11-3-5-13(15)20-11/h2-6,8,16H,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 350.24 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43735629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).