3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide

C18H18F6N4O2S — CID 46208235

IUPAC3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)CC2)c1
InChIInChI=1S/C18H18F6N4O2S/c1-25-14(29)11-3-2-4-12(9-11)27-5-7-28(8-6-27)15-26-10-13(31-15)16(30,17(19,20)21)18(22,23)24/h2-4,9-10,30H,5-8H2,1H3,(H,25,29)
InChIKeyDHPARRIJDRPUNH-UHFFFAOYSA-N
MW468.42 g/mol
LogP3.14
Rot. Bonds4

About 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide

3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide (PubChem CID 46208235) has the molecular formula C18H18F6N4O2S and a molecular weight of 468.42 g/mol. Its IUPAC name is 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide
PubChem CID46208235
Molecular FormulaC18H18F6N4O2S
Molecular Weight468.42 g/mol
Exact Mass468.11
IUPAC Name3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)CC2)c1
InChIInChI=1S/C18H18F6N4O2S/c1-25-14(29)11-3-2-4-12(9-11)27-5-7-28(8-6-27)15-26-10-13(31-15)16(30,17(19,20)21)18(22,23)24/h2-4,9-10,30H,5-8H2,1H3,(H,25,29)
InChIKeyDHPARRIJDRPUNH-UHFFFAOYSA-N
XLogP3.14
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol
CID 52941425
1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol
CID 52944118
2-[1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]benzoic acid
CID 52941384
1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-4-phenyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 52941433
N-methyl-3-[[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53372080
2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 62753823
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
CID 168513530
N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 83579539
3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3922099
N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide
CID 110258484
3-[3-(4-chloro-3-ethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178108896

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide?
The IUPAC name of 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide (CID 46208235) is 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide?
The canonical SMILES for 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide is CNC(=O)c1cccc(N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)CC2)c1.
What is the InChIKey of 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide?
The InChIKey is DHPARRIJDRPUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N4O2S/c1-25-14(29)11-3-2-4-12(9-11)27-5-7-28(8-6-27)15-26-10-13(31-15)16(30,17(19,20)21)18(22,23)24/h2-4,9-10,30H,5-8H2,1H3,(H,25,29).
What are the key properties of 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide?
3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide has a molecular weight of 468.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 46208235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).