2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline

C13H12N4OS — CID 63657222

IUPAC2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCc1ccc(-c2nnco2)cc1NCc1nccs1
InChIInChI=1S/C13H12N4OS/c1-9-2-3-10(13-17-16-8-18-13)6-11(9)15-7-12-14-4-5-19-12/h2-6,8,15H,7H2,1H3
InChIKeyOTDZUBLSMVCPJJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.11
Rot. Bonds4

About 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline

2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 63657222) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID63657222
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCc1ccc(-c2nnco2)cc1NCc1nccs1
InChIInChI=1S/C13H12N4OS/c1-9-2-3-10(13-17-16-8-18-13)6-11(9)15-7-12-14-4-5-19-12/h2-6,8,15H,7H2,1H3
InChIKeyOTDZUBLSMVCPJJ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43701909
N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 122157141
5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657020
N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701810
2-methyl-N-(3-methylsulfanylpropyl)-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701561
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701573
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 66133997
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43735620
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiolan-3-ylmethyl)aniline
CID 107131572
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735583
N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 103438990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline (CID 63657222) is 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline is Cc1ccc(-c2nnco2)cc1NCc1nccs1.
What is the InChIKey of 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is OTDZUBLSMVCPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-9-2-3-10(13-17-16-8-18-13)6-11(9)15-7-12-14-4-5-19-12/h2-6,8,15H,7H2,1H3.
What are the key properties of 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline has a molecular weight of 272.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 63657222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).