5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine

C13H14N6S — CID 133365324

IUPAC5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)c2cn(-c3ccccc3)nn2)s1
InChIInChI=1S/C13H14N6S/c1-9(14-13-17-15-10(2)20-13)12-8-19(18-16-12)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,14,17)
InChIKeyQQRIYEAVWMTGAY-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.60
Rot. Bonds4

About 5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133365324) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID133365324
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)c2cn(-c3ccccc3)nn2)s1
InChIInChI=1S/C13H14N6S/c1-9(14-13-17-15-10(2)20-13)12-8-19(18-16-12)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,14,17)
InChIKeyQQRIYEAVWMTGAY-UHFFFAOYSA-N
XLogP2.60
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 133365324) is 5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NC(C)c2cn(-c3ccccc3)nn2)s1.
What is the InChIKey of 5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QQRIYEAVWMTGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-9(14-13-17-15-10(2)20-13)12-8-19(18-16-12)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,14,17).
What are the key properties of 5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 286.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133365324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).