2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide

C17H17Cl2FN2O2S — CID 91046962

IUPAC2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide
SMILESO=C(Nc1ncc(F)s1)C(CC1CCCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2FN2O2S/c18-13-5-4-10(7-14(13)19)12(8-11-3-1-2-6-24-11)16(23)22-17-21-9-15(20)25-17/h4-5,7,9,11-12H,1-3,6,8H2,(H,21,22,23)
InChIKeyVWSCRKQBOYQIRO-UHFFFAOYSA-N
MW403.31 g/mol
LogP5.27
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide

2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide (PubChem CID 91046962) has the molecular formula C17H17Cl2FN2O2S and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide
PubChem CID91046962
Molecular FormulaC17H17Cl2FN2O2S
Molecular Weight403.31 g/mol
Exact Mass402.04
IUPAC Name2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide
SMILESO=C(Nc1ncc(F)s1)C(CC1CCCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2FN2O2S/c18-13-5-4-10(7-14(13)19)12(8-11-3-1-2-6-24-11)16(23)22-17-21-9-15(20)25-17/h4-5,7,9,11-12H,1-3,6,8H2,(H,21,22,23)
InChIKeyVWSCRKQBOYQIRO-UHFFFAOYSA-N
XLogP5.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)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

(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide
CID 143125890
2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
CID 10000139
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,2,4-triazin-3-yl)propanamide;methane
CID 161265975
2-(3,4-dichlorophenyl)-5-(oxan-2-yl)-3-oxopentanenitrile
CID 63952950
2-(3-chloro-4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
CID 25262437
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 67188736
1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
CID 107560134
2-[3-bromo-3-(3,4-dichlorophenyl)propyl]oxane
CID 63953389
2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid
CID 142974376
2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
CID 10408546
3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)propanamide
CID 87418060
N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide
CID 18626628

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide (CID 91046962) is 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide is O=C(Nc1ncc(F)s1)C(CC1CCCCO1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide?
The InChIKey is VWSCRKQBOYQIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O2S/c18-13-5-4-10(7-14(13)19)12(8-11-3-1-2-6-24-11)16(23)22-17-21-9-15(20)25-17/h4-5,7,9,11-12H,1-3,6,8H2,(H,21,22,23).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide?
2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide has a molecular weight of 403.31 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 91046962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).