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

C14H12ClN3OS — CID 115278446

IUPACN-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2ccccc2NCc2cc(Cl)cs2)o1
InChIInChI=1S/C14H12ClN3OS/c1-9-17-18-14(19-9)12-4-2-3-5-13(12)16-7-11-6-10(15)8-20-11/h2-6,8,16H,7H2,1H3
InChIKeyYJQNYJJVHUFTSS-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.37
Rot. Bonds4

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

N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 115278446) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID115278446
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2ccccc2NCc2cc(Cl)cs2)o1
InChIInChI=1S/C14H12ClN3OS/c1-9-17-18-14(19-9)12-4-2-3-5-13(12)16-7-11-6-10(15)8-20-11/h2-6,8,16H,7H2,1H3
InChIKeyYJQNYJJVHUFTSS-UHFFFAOYSA-N
XLogP4.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-2-methylaniline
CID 79420207
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43675535
N-[(3-ethylimidazol-4-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 66133781
2-[(4-chlorothiophen-2-yl)methylamino]benzamide
CID 165432866
N-[(1-ethylpyrrol-3-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 66399672
N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675457
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline
CID 107631245
2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
CID 114286965
5-[[2-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]thiophene-3-carbonitrile
CID 79611378
1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 83084278
N-[(4-chlorothiophen-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 79419714

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (CID 115278446) is N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is Cc1nnc(-c2ccccc2NCc2cc(Cl)cs2)o1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is YJQNYJJVHUFTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-9-17-18-14(19-9)12-4-2-3-5-13(12)16-7-11-6-10(15)8-20-11/h2-6,8,16H,7H2,1H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 305.79 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 115278446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).