2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

C15H16F3N3O3S2 — CID 177147576

IUPAC2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNS(=O)OCC(=O)Nc1nc(C)c(Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H16F3N3O3S2/c1-9-12(7-10-3-5-11(6-4-10)15(16,17)18)25-14(20-9)21-13(22)8-24-26(23)19-2/h3-6,19H,7-8H2,1-2H3,(H,20,21,22)
InChIKeyNFIUBBQIFXUUPL-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.81
Rot. Bonds7

About 2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 177147576) has the molecular formula C15H16F3N3O3S2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID177147576
Molecular FormulaC15H16F3N3O3S2
Molecular Weight407.44 g/mol
Exact Mass407.06
IUPAC Name2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNS(=O)OCC(=O)Nc1nc(C)c(Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H16F3N3O3S2/c1-9-12(7-10-3-5-11(6-4-10)15(16,17)18)25-14(20-9)21-13(22)8-24-26(23)19-2/h3-6,19H,7-8H2,1-2H3,(H,20,21,22)
InChIKeyNFIUBBQIFXUUPL-UHFFFAOYSA-N
XLogP2.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 30732849
N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide
CID 43836410
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 43836662
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836518
5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 93202790
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide
CID 87026704
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 177147576) is 2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is CNS(=O)OCC(=O)Nc1nc(C)c(Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NFIUBBQIFXUUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S2/c1-9-12(7-10-3-5-11(6-4-10)15(16,17)18)25-14(20-9)21-13(22)8-24-26(23)19-2/h3-6,19H,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of 2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 407.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinamoyloxy-N-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 177147576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).