N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide

C24H22F3N3O3S — CID 51067395

IUPACN-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide
SMILESO=C(/N=c1\sccn1Cc1cccc(C(=O)NCC2CCCO2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H22F3N3O3S/c25-24(26,27)19-7-2-6-18(13-19)22(32)29-23-30(9-11-34-23)15-16-4-1-5-17(12-16)21(31)28-14-20-8-3-10-33-20/h1-2,4-7,9,11-13,20H,3,8,10,14-15H2,(H,28,31)/b29-23-
InChIKeyHIPCAFOBLWNVBB-FAJYDZGRSA-N
MW489.52 g/mol
LogP4.27
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide

N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide (PubChem CID 51067395) has the molecular formula C24H22F3N3O3S and a molecular weight of 489.52 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide
PubChem CID51067395
Molecular FormulaC24H22F3N3O3S
Molecular Weight489.52 g/mol
Exact Mass489.13
IUPAC NameN-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide
SMILESO=C(/N=c1\sccn1Cc1cccc(C(=O)NCC2CCCO2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H22F3N3O3S/c25-24(26,27)19-7-2-6-18(13-19)22(32)29-23-30(9-11-34-23)15-16-4-1-5-17(12-16)21(31)28-14-20-8-3-10-33-20/h1-2,4-7,9,11-13,20H,3,8,10,14-15H2,(H,28,31)/b29-23-
InChIKeyHIPCAFOBLWNVBB-FAJYDZGRSA-N
XLogP4.27
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[3-[[3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067339
N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide
CID 93305928
2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93305874
3-methyl-N-[5-methyl-3-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067316
N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide
CID 41106065
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196
2-(4-benzylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 5199983
3-[[4,5-dimethyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 71958421
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
N-[[(2R)-oxolan-2-yl]methyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]acetamide
CID 164637207
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038852

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide (CID 51067395) is N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide is O=C(/N=c1\sccn1Cc1cccc(C(=O)NCC2CCCO2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide?
The InChIKey is HIPCAFOBLWNVBB-FAJYDZGRSA-N. The full InChI is InChI=1S/C24H22F3N3O3S/c25-24(26,27)19-7-2-6-18(13-19)22(32)29-23-30(9-11-34-23)15-16-4-1-5-17(12-16)21(31)28-14-20-8-3-10-33-20/h1-2,4-7,9,11-13,20H,3,8,10,14-15H2,(H,28,31)/b29-23-.
What are the key properties of N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide?
N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide has a molecular weight of 489.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 51067395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).