N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide

C13H14FN3O3S2 — CID 90480609

IUPACN-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N(C)Cc2cccc(F)c2)s1
InChIInChI=1S/C13H14FN3O3S2/c1-9(18)16-13-15-7-12(21-13)22(19,20)17(2)8-10-4-3-5-11(14)6-10/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyHEAUJZDLDZSZDD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.06
Rot. Bonds5

About N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 90480609) has the molecular formula C13H14FN3O3S2 and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID90480609
Molecular FormulaC13H14FN3O3S2
Molecular Weight343.41 g/mol
Exact Mass343.05
IUPAC NameN-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N(C)Cc2cccc(F)c2)s1
InChIInChI=1S/C13H14FN3O3S2/c1-9(18)16-13-15-7-12(21-13)22(19,20)17(2)8-10-4-3-5-11(14)6-10/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyHEAUJZDLDZSZDD-UHFFFAOYSA-N
XLogP2.06
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 90480609) is N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N(C)Cc2cccc(F)c2)s1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HEAUJZDLDZSZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S2/c1-9(18)16-13-15-7-12(21-13)22(19,20)17(2)8-10-4-3-5-11(14)6-10/h3-7H,8H2,1-2H3,(H,15,16,18).
What are the key properties of N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 90480609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).