N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine

C14H14N4S — CID 81222280

IUPACN-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine
SMILESCCNc1nsnc1-c1ccc2nc(C)ccc2c1
InChIInChI=1S/C14H14N4S/c1-3-15-14-13(17-19-18-14)11-6-7-12-10(8-11)5-4-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyFTUWUGPNVLVYAC-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.49
Rot. Bonds3

About N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine

N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine (PubChem CID 81222280) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine
PubChem CID81222280
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine
SMILESCCNc1nsnc1-c1ccc2nc(C)ccc2c1
InChIInChI=1S/C14H14N4S/c1-3-15-14-13(17-19-18-14)11-6-7-12-10(8-11)5-4-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyFTUWUGPNVLVYAC-UHFFFAOYSA-N
XLogP3.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine (CID 81222280) is N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine is CCNc1nsnc1-c1ccc2nc(C)ccc2c1.
What is the InChIKey of N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine?
The InChIKey is FTUWUGPNVLVYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-3-15-14-13(17-19-18-14)11-6-7-12-10(8-11)5-4-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine?
N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine has a molecular weight of 270.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 81222280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).