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

C21H17F3N4O2S — CID 55791645

IUPAC3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C21H17F3N4O2S/c22-21(23,24)15-5-1-3-13(9-15)10-17-12-26-19(31-17)27-18(29)14-4-2-6-16(11-14)28-8-7-25-20(28)30/h1-6,9,11-12H,7-8,10H2,(H,25,30)(H,26,27,29)
InChIKeyLCBAPHRVPVLJTB-UHFFFAOYSA-N
MW446.45 g/mol
LogP4.53
Rot. Bonds5

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

3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55791645) has the molecular formula C21H17F3N4O2S and a molecular weight of 446.45 g/mol. Its IUPAC name is 3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID55791645
Molecular FormulaC21H17F3N4O2S
Molecular Weight446.45 g/mol
Exact Mass446.10
IUPAC Name3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C21H17F3N4O2S/c22-21(23,24)15-5-1-3-13(9-15)10-17-12-26-19(31-17)27-18(29)14-4-2-6-16(11-14)28-8-7-25-20(28)30/h1-6,9,11-12H,7-8,10H2,(H,25,30)(H,26,27,29)
InChIKeyLCBAPHRVPVLJTB-UHFFFAOYSA-N
XLogP4.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6490726
6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 45267552
4-(imidazol-1-ylmethyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 55719248
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650
3-ethyl-4-oxo-2-sulfanylidene-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1H-quinazoline-7-carboxamide
CID 37038281
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 37038090
4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 37038345
1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
CID 24575798
1-(4-nitrophenyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 55759261
3-ethyl-1-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 46970156
2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 55791645) is 3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of 3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is LCBAPHRVPVLJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2S/c22-21(23,24)15-5-1-3-13(9-15)10-17-12-26-19(31-17)27-18(29)14-4-2-6-16(11-14)28-8-7-25-20(28)30/h1-6,9,11-12H,7-8,10H2,(H,25,30)(H,26,27,29).
What are the key properties of 3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 446.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55791645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).