3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide

C19H17FN2OS2 — CID 3941579

IUPAC3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCSc2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C19H17FN2OS2/c1-13-3-2-4-16(11-13)21-18(23)9-10-24-19-22-17(12-25-19)14-5-7-15(20)8-6-14/h2-8,11-12H,9-10H2,1H3,(H,21,23)
InChIKeyHLMKUDPHWJKCFA-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.38
Rot. Bonds6

About 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide

3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide (PubChem CID 3941579) has the molecular formula C19H17FN2OS2 and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
PubChem CID3941579
Molecular FormulaC19H17FN2OS2
Molecular Weight372.49 g/mol
Exact Mass372.08
IUPAC Name3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCSc2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C19H17FN2OS2/c1-13-3-2-4-16(11-13)21-18(23)9-10-24-19-22-17(12-25-19)14-5-7-15(20)8-6-14/h2-8,11-12H,9-10H2,1H3,(H,21,23)
InChIKeyHLMKUDPHWJKCFA-UHFFFAOYSA-N
XLogP5.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 4203345
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 112810677
N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 32951588
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3951363
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3529918
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
3-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286611
N-[3-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 18899137
2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 27067447

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide (CID 3941579) is 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCSc2nc(-c3ccc(F)cc3)cs2)c1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide?
The InChIKey is HLMKUDPHWJKCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS2/c1-13-3-2-4-16(11-13)21-18(23)9-10-24-19-22-17(12-25-19)14-5-7-15(20)8-6-14/h2-8,11-12H,9-10H2,1H3,(H,21,23).
What are the key properties of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide?
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide has a molecular weight of 372.49 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 3941579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).