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

C19H17FN2OS2 — CID 16596258

IUPACN-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1nc(CSCc2ccccc2)cs1)c1ccccc1F
InChIInChI=1S/C19H17FN2OS2/c1-14(23)22(18-10-6-5-9-17(18)20)19-21-16(13-25-19)12-24-11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3
InChIKeyIVYLIGHNJLCCRJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.40
Rot. Bonds6

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

N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 16596258) has the molecular formula C19H17FN2OS2 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
PubChem CID16596258
Molecular FormulaC19H17FN2OS2
Molecular Weight372.49 g/mol
Exact Mass372.08
IUPAC NameN-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1nc(CSCc2ccccc2)cs1)c1ccccc1F
InChIInChI=1S/C19H17FN2OS2/c1-14(23)22(18-10-6-5-9-17(18)20)19-21-16(13-25-19)12-24-11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3
InChIKeyIVYLIGHNJLCCRJ-UHFFFAOYSA-N
XLogP5.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide (CID 16596258) is N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide is CC(=O)N(c1nc(CSCc2ccccc2)cs1)c1ccccc1F.
What is the InChIKey of N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is IVYLIGHNJLCCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS2/c1-14(23)22(18-10-6-5-9-17(18)20)19-21-16(13-25-19)12-24-11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3.
What are the key properties of N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 16596258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).