3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C18H16F2N4S — CID 154877837

IUPAC3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESFc1cc(F)cc(-c2nsc(NCc3ccc4c(n3)CCCC4)n2)c1
InChIInChI=1S/C18H16F2N4S/c19-13-7-12(8-14(20)9-13)17-23-18(25-24-17)21-10-15-6-5-11-3-1-2-4-16(11)22-15/h5-9H,1-4,10H2,(H,21,23,24)
InChIKeyWMUIGRKNUTVCDK-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.37
Rot. Bonds4

About 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine

3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 154877837) has the molecular formula C18H16F2N4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID154877837
Molecular FormulaC18H16F2N4S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESFc1cc(F)cc(-c2nsc(NCc3ccc4c(n3)CCCC4)n2)c1
InChIInChI=1S/C18H16F2N4S/c19-13-7-12(8-14(20)9-13)17-23-18(25-24-17)21-10-15-6-5-11-3-1-2-4-16(11)22-15/h5-9H,1-4,10H2,(H,21,23,24)
InChIKeyWMUIGRKNUTVCDK-UHFFFAOYSA-N
XLogP4.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 154877837) is 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine is Fc1cc(F)cc(-c2nsc(NCc3ccc4c(n3)CCCC4)n2)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WMUIGRKNUTVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4S/c19-13-7-12(8-14(20)9-13)17-23-18(25-24-17)21-10-15-6-5-11-3-1-2-4-16(11)22-15/h5-9H,1-4,10H2,(H,21,23,24).
What are the key properties of 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 358.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 154877837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).