3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine

C16H14N6S — CID 133334637

IUPAC3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(-c2ccccc2)ns1)c1nnc2ccccn12
InChIInChI=1S/C16H14N6S/c1-11(15-20-19-13-9-5-6-10-22(13)15)17-16-18-14(21-23-16)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18,21)
InChIKeyPZSYCEIMSKEGEV-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.42
Rot. Bonds4

About 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133334637) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID133334637
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(-c2ccccc2)ns1)c1nnc2ccccn12
InChIInChI=1S/C16H14N6S/c1-11(15-20-19-13-9-5-6-10-22(13)15)17-16-18-14(21-23-16)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18,21)
InChIKeyPZSYCEIMSKEGEV-UHFFFAOYSA-N
XLogP3.42
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133335089
3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133492824
3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133491476
2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
CID 24508299
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 1281405
2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 134030786
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 24508306
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
CID 24508292
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 47013045
3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 133334643

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 133334637) is 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is CC(Nc1nc(-c2ccccc2)ns1)c1nnc2ccccn12.
What is the InChIKey of 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is PZSYCEIMSKEGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-11(15-20-19-13-9-5-6-10-22(13)15)17-16-18-14(21-23-16)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18,21).
What are the key properties of 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 322.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133334637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).