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

C18H15FN2OS2 — CID 4544119

IUPACN-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN2OS2/c1-12-2-4-13(5-3-12)16-10-23-18(21-16)24-11-17(22)20-15-8-6-14(19)7-9-15/h2-10H,11H2,1H3,(H,20,22)
InChIKeyONBVTKQHVASLHS-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.99
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 4544119) has the molecular formula C18H15FN2OS2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID4544119
Molecular FormulaC18H15FN2OS2
Molecular Weight358.46 g/mol
Exact Mass358.06
IUPAC NameN-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN2OS2/c1-12-2-4-13(5-3-12)16-10-23-18(21-16)24-11-17(22)20-15-8-6-14(19)7-9-15/h2-10H,11H2,1H3,(H,20,22)
InChIKeyONBVTKQHVASLHS-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 3312350
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3529918
N-(5-chloro-2-methylphenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5095676
3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 112810677
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3951363
N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591188
N-[(2S)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591185
2-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2496108
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 3941579
N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50837010
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 4544119) is N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is Cc1ccc(-c2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ONBVTKQHVASLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS2/c1-12-2-4-13(5-3-12)16-10-23-18(21-16)24-11-17(22)20-15-8-6-14(19)7-9-15/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4544119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).