5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine

C16H15N3S — CID 143729338

IUPAC5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(Nc2nnc(-c3ccccc3C)s2)c1
InChIInChI=1S/C16H15N3S/c1-11-6-5-8-13(10-11)17-16-19-18-15(20-16)14-9-4-3-7-12(14)2/h3-10H,1-2H3,(H,17,19)
InChIKeyFJLQMUHCEVCCTD-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.57
Rot. Bonds3

About 5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine

5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 143729338) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID143729338
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(Nc2nnc(-c3ccccc3C)s2)c1
InChIInChI=1S/C16H15N3S/c1-11-6-5-8-13(10-11)17-16-19-18-15(20-16)14-9-4-3-7-12(14)2/h3-10H,1-2H3,(H,17,19)
InChIKeyFJLQMUHCEVCCTD-UHFFFAOYSA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
N-ethyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 25220460
5-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 13169826
5-(2-methylphenyl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 18524386
5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 94695298
3-(2-bromophenyl)-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 18874536
4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
CID 7503610
(2R)-2-bromo-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 7090631
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 1451463
4-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 136747579
[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 21326067
3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide
CID 1444773

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 143729338) is 5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1cccc(Nc2nnc(-c3ccccc3C)s2)c1.
What is the InChIKey of 5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FJLQMUHCEVCCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-6-5-8-13(10-11)17-16-19-18-15(20-16)14-9-4-3-7-12(14)2/h3-10H,1-2H3,(H,17,19).
What are the key properties of 5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 143729338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).