N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C12H11F3N4O2S2 — CID 2976289

IUPACN-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1
InChIInChI=1S/C12H11F3N4O2S2/c1-5-3-7(12(13,14)15)17-10(16-5)22-4-8(20)18-11-19-9(21)6(2)23-11/h3,6H,4H2,1-2H3,(H,18,19,20,21)
InChIKeyWRNLRNLGBOGFJK-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.03
Rot. Bonds3

About N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 2976289) has the molecular formula C12H11F3N4O2S2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID2976289
Molecular FormulaC12H11F3N4O2S2
Molecular Weight364.37 g/mol
Exact Mass364.03
IUPAC NameN-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1
InChIInChI=1S/C12H11F3N4O2S2/c1-5-3-7(12(13,14)15)17-10(16-5)22-4-8(20)18-11-19-9(21)6(2)23-11/h3,6H,4H2,1-2H3,(H,18,19,20,21)
InChIKeyWRNLRNLGBOGFJK-UHFFFAOYSA-N
XLogP2.03
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide
CID 668161
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-ethylpropanamide
CID 6483849
N-(Cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide
CID 696369
(4,5-Dihydro-thiazol-2-yl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 899477
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
CID 610353
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
N-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 663032
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-propionic acid
CID 2772428
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
2-(4,6-dimethylpyrimidin-2-ylthio)-N-cyclopentylacetamide
CID 2772852
N-Cyclohexyl-2-(4-methyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 2979066

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 2976289) is N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1cc(C(F)(F)F)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1.
What is the InChIKey of N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is WRNLRNLGBOGFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S2/c1-5-3-7(12(13,14)15)17-10(16-5)22-4-8(20)18-11-19-9(21)6(2)23-11/h3,6H,4H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 364.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2976289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).