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

C10H8F3N3O2S2 — CID 71979633

IUPACN-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cn2c(C(F)(F)F)csc2=O)cs1
InChIInChI=1S/C10H8F3N3O2S2/c1-5(17)14-8-15-6(3-19-8)2-16-7(10(11,12)13)4-20-9(16)18/h3-4H,2H2,1H3,(H,14,15,17)
InChIKeyNIUDBHJLISVNRA-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.39
Rot. Bonds3

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

N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 71979633) has the molecular formula C10H8F3N3O2S2 and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID71979633
Molecular FormulaC10H8F3N3O2S2
Molecular Weight323.32 g/mol
Exact Mass323.00
IUPAC NameN-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cn2c(C(F)(F)F)csc2=O)cs1
InChIInChI=1S/C10H8F3N3O2S2/c1-5(17)14-8-15-6(3-19-8)2-16-7(10(11,12)13)4-20-9(16)18/h3-4H,2H2,1H3,(H,14,15,17)
InChIKeyNIUDBHJLISVNRA-UHFFFAOYSA-N
XLogP2.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CID 14962262
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]propanamide
CID 14962263
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 14962264
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 14962265
2,2,2-trifluoro-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CID 14962266
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 44565686
N-[4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 8097629
2-acetamido-N-propyl-1,3-thiazole-4-carboxamide
CID 16915932
4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
CID 38131593
2-acetamido-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 40151352
2-acetamido-N-[2-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 45818917
N-[3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]propyl]acetamide
CID 71932191

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 71979633) is N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(Cn2c(C(F)(F)F)csc2=O)cs1.
What is the InChIKey of N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NIUDBHJLISVNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S2/c1-5(17)14-8-15-6(3-19-8)2-16-7(10(11,12)13)4-20-9(16)18/h3-4H,2H2,1H3,(H,14,15,17).
What are the key properties of N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 323.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71979633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).