5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine

C11H14N8S — CID 72862499

IUPAC5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine
SMILESCn1ccnc1-c1cn(CCCc2nnc(N)s2)nn1
InChIInChI=1S/C11H14N8S/c1-18-6-4-13-10(18)8-7-19(17-14-8)5-2-3-9-15-16-11(12)20-9/h4,6-7H,2-3,5H2,1H3,(H2,12,16)
InChIKeyHLKLFFZMMJTCLJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.75
Rot. Bonds5

About 5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine

5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine (PubChem CID 72862499) has the molecular formula C11H14N8S and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine
PubChem CID72862499
Molecular FormulaC11H14N8S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine
SMILESCn1ccnc1-c1cn(CCCc2nnc(N)s2)nn1
InChIInChI=1S/C11H14N8S/c1-18-6-4-13-10(18)8-7-19(17-14-8)5-2-3-9-15-16-11(12)20-9/h4,6-7H,2-3,5H2,1H3,(H2,12,16)
InChIKeyHLKLFFZMMJTCLJ-UHFFFAOYSA-N
XLogP0.75
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-{2-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1,3,4-thiadiazol-2-amine
CID 72849825
1-{2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}-4-(1,3-thiazol-2-yl)-1H-1,2,3-triazole
CID 72851721
1-{2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}-4-(1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 72878477
1-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)-1H-1,2,3-triazole
CID 72895797
2-[4-[3-(Trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]imidazol-1-yl]ethanamine
CID 107495977
1-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}-1H,1'H-2,4'-biimidazole
CID 56881038
1-Ethenyl-3-(3-ethenylimidazol-4-yl)-5-(1-prop-2-enylimidazol-2-yl)-1,2,4-triazole
CID 156291946
1-Methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole
CID 58947494
4-[4-(1-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]piperidine hydrochloride
CID 70738297
2-ethyl-5-{[4-(1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]methyl}-1,3,4-thiadiazole
CID 72855792
1-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 72875056
3-{[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]methyl}-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 72884526

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine (CID 72862499) is 5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine is Cn1ccnc1-c1cn(CCCc2nnc(N)s2)nn1.
What is the InChIKey of 5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HLKLFFZMMJTCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8S/c1-18-6-4-13-10(18)8-7-19(17-14-8)5-2-3-9-15-16-11(12)20-9/h4,6-7H,2-3,5H2,1H3,(H2,12,16).
What are the key properties of 5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine?
5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 290.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 72862499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).