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

C12H11N5OS — CID 43701909

IUPAC2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(-c2nnco2)cc1NCc1csnn1
InChIInChI=1S/C12H11N5OS/c1-8-2-3-9(12-16-14-7-18-12)4-11(8)13-5-10-6-19-17-15-10/h2-4,6-7,13H,5H2,1H3
InChIKeyXEFUBJKBNSNTJO-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.51
Rot. Bonds4

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

2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43701909) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43701909
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(-c2nnco2)cc1NCc1csnn1
InChIInChI=1S/C12H11N5OS/c1-8-2-3-9(12-16-14-7-18-12)4-11(8)13-5-10-6-19-17-15-10/h2-4,6-7,13H,5H2,1H3
InChIKeyXEFUBJKBNSNTJO-UHFFFAOYSA-N
XLogP2.51
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(1,3-thiazol-2-ylmethyl)aniline
CID 63657222
N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 122157141
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
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-5-(1,3,4-oxadiazol-2-yl)-N-(thiolan-3-ylmethyl)aniline
CID 107131572
2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478947
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43735620
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline (CID 43701909) is 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline is Cc1ccc(-c2nnco2)cc1NCc1csnn1.
What is the InChIKey of 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is XEFUBJKBNSNTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-8-2-3-9(12-16-14-7-18-12)4-11(8)13-5-10-6-19-17-15-10/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline?
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 273.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43701909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).