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

C14H14N4OS — CID 43670240

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nc(C(C)Nc2cccc(-c3nnco3)c2)cs1
InChIInChI=1S/C14H14N4OS/c1-9(13-7-20-10(2)17-13)16-12-5-3-4-11(6-12)14-18-15-8-19-14/h3-9,16H,1-2H3
InChIKeyVIXVJJKCTFXBDF-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.67
Rot. Bonds4

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

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43670240) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43670240
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nc(C(C)Nc2cccc(-c3nnco3)c2)cs1
InChIInChI=1S/C14H14N4OS/c1-9(13-7-20-10(2)17-13)16-12-5-3-4-11(6-12)14-18-15-8-19-14/h3-9,16H,1-2H3
InChIKeyVIXVJJKCTFXBDF-UHFFFAOYSA-N
XLogP3.67
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701911
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63751911
3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993449
3-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206455
N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206435
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
3-(1,3,4-oxadiazol-2-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43206444
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 83118930
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745436
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline (CID 43670240) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline is Cc1nc(C(C)Nc2cccc(-c3nnco3)c2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is VIXVJJKCTFXBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9(13-7-20-10(2)17-13)16-12-5-3-4-11(6-12)14-18-15-8-19-14/h3-9,16H,1-2H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 286.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43670240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).