4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

C13H12N4OS — CID 115928974

IUPAC4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCC(Nc1ccc(-c2nnco2)cc1)c1cncs1
InChIInChI=1S/C13H12N4OS/c1-9(12-6-14-8-19-12)16-11-4-2-10(3-5-11)13-17-15-7-18-13/h2-9,16H,1H3
InChIKeyNKBOZVLAEITVHC-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.37
Rot. Bonds4

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

4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 115928974) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
PubChem CID115928974
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCC(Nc1ccc(-c2nnco2)cc1)c1cncs1
InChIInChI=1S/C13H12N4OS/c1-9(12-6-14-8-19-12)16-11-4-2-10(3-5-11)13-17-15-7-18-13/h2-9,16H,1H3
InChIKeyNKBOZVLAEITVHC-UHFFFAOYSA-N
XLogP3.37
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917439
N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206403
N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206395
2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid
CID 66172483
N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 115928972
2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
CID 115917200
N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 55085987
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115922548
2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
CID 107678452
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240
2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 115917264

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (CID 115928974) is 4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is CC(Nc1ccc(-c2nnco2)cc1)c1cncs1.
What is the InChIKey of 4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is NKBOZVLAEITVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-9(12-6-14-8-19-12)16-11-4-2-10(3-5-11)13-17-15-7-18-13/h2-9,16H,1H3.
What are the key properties of 4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 272.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 115928974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).