N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine

C13H14N6S — CID 105184404

IUPACN-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H14N6S/c1-2-14-13(11-9-20-18-16-11)12-8-15-17-19(12)10-6-4-3-5-7-10/h3-9,13-14H,2H2,1H3
InChIKeyBAYXUTPIHDEYCE-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.82
Rot. Bonds5

About N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine

N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine (PubChem CID 105184404) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
PubChem CID105184404
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC NameN-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H14N6S/c1-2-14-13(11-9-20-18-16-11)12-8-15-17-19(12)10-6-4-3-5-7-10/h3-9,13-14H,2H2,1H3
InChIKeyBAYXUTPIHDEYCE-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869
N-[(5-iodothiophen-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043247
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984
N-[(5-bromofuran-2-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043281
N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 106858669
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
N-[thiadiazol-4-yl(thiophen-2-yl)methyl]ethanamine
CID 105100443
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105181971
N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine
CID 105184460
N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine
CID 114277902

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine (CID 105184404) is N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine is CCNC(c1csnn1)c1cnnn1-c1ccccc1.
What is the InChIKey of N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine?
The InChIKey is BAYXUTPIHDEYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-2-14-13(11-9-20-18-16-11)12-8-15-17-19(12)10-6-4-3-5-7-10/h3-9,13-14H,2H2,1H3.
What are the key properties of N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine?
N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine has a molecular weight of 286.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105184404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).