(E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine

C14H14F3N7OS — CID 129232858

IUPAC(E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine
SMILESCc1nsc(N/C=C/CNc2nc3c(OCC(F)(F)F)cccn3n2)n1
InChIInChI=1S/C14H14F3N7OS/c1-9-20-13(26-23-9)19-6-3-5-18-12-21-11-10(25-8-14(15,16)17)4-2-7-24(11)22-12/h2-4,6-7H,5,8H2,1H3,(H,18,22)(H,19,20,23)/b6-3+
InChIKeyWDXYUXABGAXPQL-ZZXKWVIFSA-N
MW385.38 g/mol
LogP2.87
Rot. Bonds7

About (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine

(E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine (PubChem CID 129232858) has the molecular formula C14H14F3N7OS and a molecular weight of 385.38 g/mol. Its IUPAC name is (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine
PubChem CID129232858
Molecular FormulaC14H14F3N7OS
Molecular Weight385.38 g/mol
Exact Mass385.09
IUPAC Name(E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine
SMILESCc1nsc(N/C=C/CNc2nc3c(OCC(F)(F)F)cccn3n2)n1
InChIInChI=1S/C14H14F3N7OS/c1-9-20-13(26-23-9)19-6-3-5-18-12-21-11-10(25-8-14(15,16)17)4-2-7-24(11)22-12/h2-4,6-7H,5,8H2,1H3,(H,18,22)(H,19,20,23)/b6-3+
InChIKeyWDXYUXABGAXPQL-ZZXKWVIFSA-N
XLogP2.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine?
The IUPAC name of (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine (CID 129232858) is (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine?
The canonical SMILES for (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine is Cc1nsc(N/C=C/CNc2nc3c(OCC(F)(F)F)cccn3n2)n1.
What is the InChIKey of (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine?
The InChIKey is WDXYUXABGAXPQL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H14F3N7OS/c1-9-20-13(26-23-9)19-6-3-5-18-12-21-11-10(25-8-14(15,16)17)4-2-7-24(11)22-12/h2-4,6-7H,5,8H2,1H3,(H,18,22)(H,19,20,23)/b6-3+.
What are the key properties of (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine?
(E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine has a molecular weight of 385.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 129232858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).