N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide

C7H7F3N2OS2 — CID 51078895

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1csc(NC(=O)CSC(F)(F)F)n1
InChIInChI=1S/C7H7F3N2OS2/c1-4-2-14-6(11-4)12-5(13)3-15-7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyUKQYCRWHDKFEPV-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.64
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 51078895) has the molecular formula C7H7F3N2OS2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID51078895
Molecular FormulaC7H7F3N2OS2
Molecular Weight256.27 g/mol
Exact Mass256.00
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1csc(NC(=O)CSC(F)(F)F)n1
InChIInChI=1S/C7H7F3N2OS2/c1-4-2-14-6(11-4)12-5(13)3-15-7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyUKQYCRWHDKFEPV-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide (CID 51078895) is N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide is Cc1csc(NC(=O)CSC(F)(F)F)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is UKQYCRWHDKFEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS2/c1-4-2-14-6(11-4)12-5(13)3-15-7(8,9)10/h2H,3H2,1H3,(H,11,12,13).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 51078895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).