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

C13H14N6S — CID 103933883

IUPAC5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2cnn(-c3ccccc3)n2)s1
InChIInChI=1S/C13H14N6S/c1-2-12-16-17-13(20-12)14-8-10-9-15-19(18-10)11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,14,17)
InChIKeyYEOLXIGHOHVWMB-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.29
Rot. Bonds5

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

5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103933883) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103933883
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2cnn(-c3ccccc3)n2)s1
InChIInChI=1S/C13H14N6S/c1-2-12-16-17-13(20-12)14-8-10-9-15-19(18-10)11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,14,17)
InChIKeyYEOLXIGHOHVWMB-UHFFFAOYSA-N
XLogP2.29
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924669
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 2799314
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-2-amine
CID 115623247
2,5-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 29047782
2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine
CID 28774650
5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924687
5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924677
2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
CID 79353260
1-[(2-phenyltriazol-4-yl)methylamino]butan-2-ol
CID 113492048
3-chloro-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28542666

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 103933883) is 5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NCc2cnn(-c3ccccc3)n2)s1.
What is the InChIKey of 5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YEOLXIGHOHVWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-2-12-16-17-13(20-12)14-8-10-9-15-19(18-10)11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,14,17).
What are the key properties of 5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 286.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103933883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).