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

C24H29FN4OS — CID 42778368

IUPAC3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCCCN(CCC(=O)NCc1ccc(F)cc1)c1nc(Cc2ccc(C)cc2)ns1
InChIInChI=1S/C24H29FN4OS/c1-3-4-14-29(15-13-23(30)26-17-20-9-11-21(25)12-10-20)24-27-22(28-31-24)16-19-7-5-18(2)6-8-19/h5-12H,3-4,13-17H2,1-2H3,(H,26,30)
InChIKeyOWSGLSCGCHSYPO-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.89
Rot. Bonds11

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

3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 42778368) has the molecular formula C24H29FN4OS and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID42778368
Molecular FormulaC24H29FN4OS
Molecular Weight440.59 g/mol
Exact Mass440.20
IUPAC Name3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCCCN(CCC(=O)NCc1ccc(F)cc1)c1nc(Cc2ccc(C)cc2)ns1
InChIInChI=1S/C24H29FN4OS/c1-3-4-14-29(15-13-23(30)26-17-20-9-11-21(25)12-10-20)24-27-22(28-31-24)16-19-7-5-18(2)6-8-19/h5-12H,3-4,13-17H2,1-2H3,(H,26,30)
InChIKeyOWSGLSCGCHSYPO-UHFFFAOYSA-N
XLogP4.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide (CID 42778368) is 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide is CCCCN(CCC(=O)NCc1ccc(F)cc1)c1nc(Cc2ccc(C)cc2)ns1.
What is the InChIKey of 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is OWSGLSCGCHSYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4OS/c1-3-4-14-29(15-13-23(30)26-17-20-9-11-21(25)12-10-20)24-27-22(28-31-24)16-19-7-5-18(2)6-8-19/h5-12H,3-4,13-17H2,1-2H3,(H,26,30).
What are the key properties of 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide?
3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 440.59 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 42778368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).