N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine

C19H19ClFN3S — CID 122587798

IUPACN-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN(CCc1ccc(Cl)cc1)c1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C19H19ClFN3S/c1-2-24(12-11-14-3-7-16(20)8-4-14)19-22-18(23-25-19)13-15-5-9-17(21)10-6-15/h3-10H,2,11-13H2,1H3
InChIKeyDDXHBZRWLOIFGW-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.99
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine

N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 122587798) has the molecular formula C19H19ClFN3S and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID122587798
Molecular FormulaC19H19ClFN3S
Molecular Weight375.90 g/mol
Exact Mass375.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN(CCc1ccc(Cl)cc1)c1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C19H19ClFN3S/c1-2-24(12-11-14-3-7-16(20)8-4-14)19-22-18(23-25-19)13-15-5-9-17(21)10-6-15/h3-10H,2,11-13H2,1H3
InChIKeyDDXHBZRWLOIFGW-UHFFFAOYSA-N
XLogP4.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 122587798) is N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is CCN(CCc1ccc(Cl)cc1)c1nc(Cc2ccc(F)cc2)ns1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is DDXHBZRWLOIFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3S/c1-2-24(12-11-14-3-7-16(20)8-4-14)19-22-18(23-25-19)13-15-5-9-17(21)10-6-15/h3-10H,2,11-13H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 375.90 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 122587798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).