3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide

C20H18FN3O2S2 — CID 112810677

IUPAC3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C20H18FN3O2S2/c1-24(2)19(26)14-4-3-5-16(10-14)22-18(25)12-28-20-23-17(11-27-20)13-6-8-15(21)9-7-13/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyIJXCXACPKNDUBL-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.38
Rot. Bonds6

About 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide

3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 112810677) has the molecular formula C20H18FN3O2S2 and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID112810677
Molecular FormulaC20H18FN3O2S2
Molecular Weight415.52 g/mol
Exact Mass415.08
IUPAC Name3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C20H18FN3O2S2/c1-24(2)19(26)14-4-3-5-16(10-14)22-18(25)12-28-20-23-17(11-27-20)13-6-8-15(21)9-7-13/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyIJXCXACPKNDUBL-UHFFFAOYSA-N
XLogP4.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 3941579
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
N,N-dimethyl-3-[[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 55526170
N-(5-chloro-2-methylphenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5095676
N-(3-cyanophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4799463
dimethyl 5-[[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 4673533
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3529918
N-[(2S)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591185
N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591188
2-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2496108

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide (CID 112810677) is 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c1.
What is the InChIKey of 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is IJXCXACPKNDUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S2/c1-24(2)19(26)14-4-3-5-16(10-14)22-18(25)12-28-20-23-17(11-27-20)13-6-8-15(21)9-7-13/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 112810677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).