N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide

C23H27FN4O2S — CID 3498750

IUPACN-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCOCCN(CCC(=O)NCc1ccc(F)cc1)c1nc(Cc2ccc(C)cc2)ns1
InChIInChI=1S/C23H27FN4O2S/c1-17-3-5-18(6-4-17)15-21-26-23(31-27-21)28(13-14-30-2)12-11-22(29)25-16-19-7-9-20(24)10-8-19/h3-10H,11-16H2,1-2H3,(H,25,29)
InChIKeyOSBIEFABMZSAPC-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.74
Rot. Bonds11

About N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide

N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 3498750) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID3498750
Molecular FormulaC23H27FN4O2S
Molecular Weight442.56 g/mol
Exact Mass442.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCOCCN(CCC(=O)NCc1ccc(F)cc1)c1nc(Cc2ccc(C)cc2)ns1
InChIInChI=1S/C23H27FN4O2S/c1-17-3-5-18(6-4-17)15-21-26-23(31-27-21)28(13-14-30-2)12-11-22(29)25-16-19-7-9-20(24)10-8-19/h3-10H,11-16H2,1-2H3,(H,25,29)
InChIKeyOSBIEFABMZSAPC-UHFFFAOYSA-N
XLogP3.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 3498750) is N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide is COCCN(CCC(=O)NCc1ccc(F)cc1)c1nc(Cc2ccc(C)cc2)ns1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is OSBIEFABMZSAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c1-17-3-5-18(6-4-17)15-21-26-23(31-27-21)28(13-14-30-2)12-11-22(29)25-16-19-7-9-20(24)10-8-19/h3-10H,11-16H2,1-2H3,(H,25,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?
N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 442.56 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 3498750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).