2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C7H7F3N2OS2 — CID 78866514

IUPAC2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCSCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H7F3N2OS2/c1-14-3-5(13)12-6-11-4(2-15-6)7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyMHCBMTRLALEDCM-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.46
Rot. Bonds3

About 2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 78866514) has the molecular formula C7H7F3N2OS2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID78866514
Molecular FormulaC7H7F3N2OS2
Molecular Weight256.27 g/mol
Exact Mass256.00
IUPAC Name2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCSCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H7F3N2OS2/c1-14-3-5(13)12-6-11-4(2-15-6)7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyMHCBMTRLALEDCM-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
2-Acetamido-4-chloromethylthiazole
CID 81963
Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1235811
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2221983
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CID 14962262
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]propanamide
CID 14962263
N-(5-Iodo-4-methyl-2-thiazolyl)acetamide
CID 57417074
2,2,2-trifluoro-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CID 14962266
2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30588636

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 78866514) is 2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is CSCC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MHCBMTRLALEDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS2/c1-14-3-5(13)12-6-11-4(2-15-6)7(8,9)10/h2H,3H2,1H3,(H,11,12,13).
What are the key properties of 2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 256.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78866514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).