N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide

C19H17FN2O2S2 — CID 56808134

IUPACN-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
SMILESCC(C(=O)Nc1ccccc1F)S(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H17FN2O2S2/c1-13(18(23)22-17-10-6-5-9-16(17)20)26(24)12-15-11-25-19(21-15)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,22,23)
InChIKeyKKLIZPIBDHJBKP-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.23
Rot. Bonds6

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

N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide (PubChem CID 56808134) has the molecular formula C19H17FN2O2S2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
PubChem CID56808134
Molecular FormulaC19H17FN2O2S2
Molecular Weight388.49 g/mol
Exact Mass388.07
IUPAC NameN-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
SMILESCC(C(=O)Nc1ccccc1F)S(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H17FN2O2S2/c1-13(18(23)22-17-10-6-5-9-16(17)20)26(24)12-15-11-25-19(21-15)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,22,23)
InChIKeyKKLIZPIBDHJBKP-UHFFFAOYSA-N
XLogP4.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]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-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808130
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 95571839
(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169351
(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169350
N-(2-fluorophenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 46581005
N-tert-butyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 56808147
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 47093348
(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
CID 95169183
1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone
CID 133331272
(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169378
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 55378695
(2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide
CID 95571898

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide (CID 56808134) is N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide is CC(C(=O)Nc1ccccc1F)S(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
The InChIKey is KKLIZPIBDHJBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S2/c1-13(18(23)22-17-10-6-5-9-16(17)20)26(24)12-15-11-25-19(21-15)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,22,23).
What are the key properties of N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide has a molecular weight of 388.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide is sourced from PubChem (CID 56808134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).