N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine

C13H12N4S — CID 24938566

IUPACN-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc3ccccc3n2)s1
InChIInChI=1S/C13H12N4S/c1-2-14-13-17-16-12(18-13)11-8-7-9-5-3-4-6-10(9)15-11/h3-8H,2H2,1H3,(H,14,17)
InChIKeyLXDZMJDCCUSQDK-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.19
Rot. Bonds3

About N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine

N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 24938566) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID24938566
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc3ccccc3n2)s1
InChIInChI=1S/C13H12N4S/c1-2-14-13-17-16-12(18-13)11-8-7-9-5-3-4-6-10(9)15-11/h3-8H,2H2,1H3,(H,14,17)
InChIKeyLXDZMJDCCUSQDK-UHFFFAOYSA-N
XLogP3.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine (CID 24938566) is N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2ccc3ccccc3n2)s1.
What is the InChIKey of N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is LXDZMJDCCUSQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-14-13-17-16-12(18-13)11-8-7-9-5-3-4-6-10(9)15-11/h3-8H,2H2,1H3,(H,14,17).
What are the key properties of N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine?
N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24938566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).