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

C10H12N8S — CID 72849825

IUPAC5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCn1ccnc1-c1cn(CCc2nnc(N)s2)nn1
InChIInChI=1S/C10H12N8S/c1-17-5-3-12-9(17)7-6-18(16-13-7)4-2-8-14-15-10(11)19-8/h3,5-6H,2,4H2,1H3,(H2,11,15)
InChIKeyNSAVODWTUYISRK-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.35
Rot. Bonds4

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

5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 72849825) has the molecular formula C10H12N8S and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID72849825
Molecular FormulaC10H12N8S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCn1ccnc1-c1cn(CCc2nnc(N)s2)nn1
InChIInChI=1S/C10H12N8S/c1-17-5-3-12-9(17)7-6-18(16-13-7)4-2-8-14-15-10(11)19-8/h3,5-6H,2,4H2,1H3,(H2,11,15)
InChIKeyNSAVODWTUYISRK-UHFFFAOYSA-N
XLogP0.35
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (CID 72849825) is 5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is Cn1ccnc1-c1cn(CCc2nnc(N)s2)nn1.
What is the InChIKey of 5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NSAVODWTUYISRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8S/c1-17-5-3-12-9(17)7-6-18(16-13-7)4-2-8-14-15-10(11)19-8/h3,5-6H,2,4H2,1H3,(H2,11,15).
What are the key properties of 5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 276.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 72849825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).