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

C16H15N3S — CID 13380651

IUPAC5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccccc1Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C16H15N3S/c1-12-7-5-6-10-14(12)17-16-19-18-15(20-16)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyYGWFQJMLAKXQMB-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.18
Rot. Bonds4

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

5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 13380651) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID13380651
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccccc1Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C16H15N3S/c1-12-7-5-6-10-14(12)17-16-19-18-15(20-16)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyYGWFQJMLAKXQMB-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-aminophenyl)-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 5270668
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 7943874
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
(5-benzyl-1,3,4-thiadiazol-2-yl)sulfamic acid
CID 174221650
5-benzyl-N-[2-(3-methyl-4-pyridinyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 133451748
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
(3S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
CID 133451823
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800714
5-[(4-chlorophenyl)methylsulfanyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 7754026
(2S)-N-benzyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7376623
4-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 136747579

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 13380651) is 5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1ccccc1Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of 5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YGWFQJMLAKXQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-12-7-5-6-10-14(12)17-16-19-18-15(20-16)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of 5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 13380651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).