N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C15H14N4S — CID 155925357

IUPACN-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(C)c1Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C15H14N4S/c1-10-6-5-7-11(2)13(10)17-15-19-18-14(20-15)12-8-3-4-9-16-12/h3-9H,1-2H3,(H,17,19)
InChIKeyMLYMHMXKXMTTSV-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.96
Rot. Bonds3

About N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 155925357) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID155925357
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(C)c1Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C15H14N4S/c1-10-6-5-7-11(2)13(10)17-15-19-18-14(20-15)12-8-3-4-9-16-12/h3-9H,1-2H3,(H,17,19)
InChIKeyMLYMHMXKXMTTSV-UHFFFAOYSA-N
XLogP3.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 155925357) is N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is Cc1cccc(C)c1Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is MLYMHMXKXMTTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-6-5-7-11(2)13(10)17-15-19-18-14(20-15)12-8-3-4-9-16-12/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155925357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).