N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide

C20H25F3N4O2S — CID 25052548

IUPACN-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1nc(CCCO)cs1)N1CCC(CNc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H25F3N4O2S/c21-20(22,23)16-5-1-2-6-17(16)24-12-14-7-9-27(10-8-14)19(29)26-18-25-15(13-30-18)4-3-11-28/h1-2,5-6,13-14,24,28H,3-4,7-12H2,(H,25,26,29)
InChIKeyZNEYWMCVFBQNJH-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.44
Rot. Bonds7

About N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide

N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide (PubChem CID 25052548) has the molecular formula C20H25F3N4O2S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
PubChem CID25052548
Molecular FormulaC20H25F3N4O2S
Molecular Weight442.51 g/mol
Exact Mass442.17
IUPAC NameN-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1nc(CCCO)cs1)N1CCC(CNc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H25F3N4O2S/c21-20(22,23)16-5-1-2-6-17(16)24-12-14-7-9-27(10-8-14)19(29)26-18-25-15(13-30-18)4-3-11-28/h1-2,5-6,13-14,24,28H,3-4,7-12H2,(H,25,26,29)
InChIKeyZNEYWMCVFBQNJH-UHFFFAOYSA-N
XLogP4.44
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide (CID 25052548) is N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide is O=C(Nc1nc(CCCO)cs1)N1CCC(CNc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The InChIKey is ZNEYWMCVFBQNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2S/c21-20(22,23)16-5-1-2-6-17(16)24-12-14-7-9-27(10-8-14)19(29)26-18-25-15(13-30-18)4-3-11-28/h1-2,5-6,13-14,24,28H,3-4,7-12H2,(H,25,26,29).
What are the key properties of N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 25052548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).