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

C19H17FN2O2S2 — CID 3902810

IUPAC2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c(C)c1
InChIInChI=1S/C19H17FN2O2S2/c1-12-9-15(24-2)7-8-16(12)21-18(23)11-26-19-22-17(10-25-19)13-3-5-14(20)6-4-13/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyLHFZLRLXCJKMBJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.00
Rot. Bonds6

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

2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide (PubChem CID 3902810) has the molecular formula C19H17FN2O2S2 and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
PubChem CID3902810
Molecular FormulaC19H17FN2O2S2
Molecular Weight388.49 g/mol
Exact Mass388.07
IUPAC Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c(C)c1
InChIInChI=1S/C19H17FN2O2S2/c1-12-9-15(24-2)7-8-16(12)21-18(23)11-26-19-22-17(10-25-19)13-3-5-14(20)6-4-13/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyLHFZLRLXCJKMBJ-UHFFFAOYSA-N
XLogP5.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide (CID 3902810) is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide is COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c(C)c1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
The InChIKey is LHFZLRLXCJKMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S2/c1-12-9-15(24-2)7-8-16(12)21-18(23)11-26-19-22-17(10-25-19)13-3-5-14(20)6-4-13/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 3902810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).