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

C13H11F3N2OS2 — CID 4846392

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCc1cnc(NC(=O)CSc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C13H11F3N2OS2/c1-8-6-17-12(21-8)18-11(19)7-20-10-4-2-3-9(5-10)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyAKEXRZXLKVDCRL-UHFFFAOYSA-N
MW332.37 g/mol
LogP4.20
Rot. Bonds4

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

N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 4846392) has the molecular formula C13H11F3N2OS2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID4846392
Molecular FormulaC13H11F3N2OS2
Molecular Weight332.37 g/mol
Exact Mass332.03
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCc1cnc(NC(=O)CSc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C13H11F3N2OS2/c1-8-6-17-12(21-8)18-11(19)7-20-10-4-2-3-9(5-10)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyAKEXRZXLKVDCRL-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484907
(2R)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]butanoic acid
CID 119368167
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46491720
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 86970638
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17444667
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2467407

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 4846392) is N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is Cc1cnc(NC(=O)CSc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is AKEXRZXLKVDCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS2/c1-8-6-17-12(21-8)18-11(19)7-20-10-4-2-3-9(5-10)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 332.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 4846392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).