N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

C11H18N6S — CID 80624456

IUPACN-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-n2nc(CC)nc2CC)s1
InChIInChI=1S/C11H18N6S/c1-4-8-13-9(5-2)17(16-8)11-15-14-10(18-11)7-12-6-3/h12H,4-7H2,1-3H3
InChIKeyRCBOIVUOANEQEF-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.35
Rot. Bonds6

About N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 80624456) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID80624456
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC NameN-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-n2nc(CC)nc2CC)s1
InChIInChI=1S/C11H18N6S/c1-4-8-13-9(5-2)17(16-8)11-15-14-10(18-11)7-12-6-3/h12H,4-7H2,1-3H3
InChIKeyRCBOIVUOANEQEF-UHFFFAOYSA-N
XLogP1.35
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 80624456) is N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(-n2nc(CC)nc2CC)s1.
What is the InChIKey of N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is RCBOIVUOANEQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-4-8-13-9(5-2)17(16-8)11-15-14-10(18-11)7-12-6-3/h12H,4-7H2,1-3H3.
What are the key properties of N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 266.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 80624456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).