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

C10H11N3S — CID 130007374

IUPAC3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(Nc2nc(C)ns2)cc1
InChIInChI=1S/C10H11N3S/c1-7-3-5-9(6-4-7)12-10-11-8(2)13-14-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyIGCFKYFHRNGDMC-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.90
Rot. Bonds2

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

3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 130007374) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID130007374
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(Nc2nc(C)ns2)cc1
InChIInChI=1S/C10H11N3S/c1-7-3-5-9(6-4-7)12-10-11-8(2)13-14-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyIGCFKYFHRNGDMC-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine (CID 130007374) is 3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine is Cc1ccc(Nc2nc(C)ns2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IGCFKYFHRNGDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-3-5-9(6-4-7)12-10-11-8(2)13-14-10/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 205.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130007374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).