(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide

C20H18F2N2OS2 — CID 9204302

IUPAC(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide
SMILESCc1ccccc1CS[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C20H18F2N2OS2/c1-12-5-3-4-6-15(12)10-26-13(2)19(25)24-20-23-18(11-27-20)14-7-8-16(21)17(22)9-14/h3-9,11,13H,10H2,1-2H3,(H,23,24,25)/t13-/m1/s1
InChIKeyZZJQBPXHOFHJPW-CYBMUJFWSA-N
MW404.51 g/mol
LogP5.66
Rot. Bonds6

About (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide

(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide (PubChem CID 9204302) has the molecular formula C20H18F2N2OS2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide
PubChem CID9204302
Molecular FormulaC20H18F2N2OS2
Molecular Weight404.51 g/mol
Exact Mass404.08
IUPAC Name(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide
SMILESCc1ccccc1CS[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C20H18F2N2OS2/c1-12-5-3-4-6-15(12)10-26-13(2)19(25)24-20-23-18(11-27-20)14-7-8-16(21)17(22)9-14/h3-9,11,13H,10H2,1-2H3,(H,23,24,25)/t13-/m1/s1
InChIKeyZZJQBPXHOFHJPW-CYBMUJFWSA-N
XLogP5.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]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-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46692588
(2S)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 41000997
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] propanoate
CID 7851224
(2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 8801390
(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]propanamide
CID 51445398
(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 41081124
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 16910410
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 7775931
[(2R)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pentanoate
CID 7790378
[(2R)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 7794025
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55431337
2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23998455

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The IUPAC name of (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide (CID 9204302) is (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The canonical SMILES for (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide is Cc1ccccc1CS[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The InChIKey is ZZJQBPXHOFHJPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18F2N2OS2/c1-12-5-3-4-6-15(12)10-26-13(2)19(25)24-20-23-18(11-27-20)14-7-8-16(21)17(22)9-14/h3-9,11,13H,10H2,1-2H3,(H,23,24,25)/t13-/m1/s1.
What are the key properties of (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide?
(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 9204302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).