N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide

C24H25F3N4OS — CID 26338800

IUPACN-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(N2CCC(NCCc3cscn3)CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H25F3N4OS/c25-24(26,27)18-4-1-3-17(13-18)23(32)30-20-5-2-6-22(14-20)31-11-8-19(9-12-31)28-10-7-21-15-33-16-29-21/h1-6,13-16,19,28H,7-12H2,(H,30,32)
InChIKeyHKODYIZIDDDZLE-UHFFFAOYSA-N
MW474.55 g/mol
LogP5.22
Rot. Bonds7

About N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 26338800) has the molecular formula C24H25F3N4OS and a molecular weight of 474.55 g/mol. Its IUPAC name is N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID26338800
Molecular FormulaC24H25F3N4OS
Molecular Weight474.55 g/mol
Exact Mass474.17
IUPAC NameN-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(N2CCC(NCCc3cscn3)CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H25F3N4OS/c25-24(26,27)18-4-1-3-17(13-18)23(32)30-20-5-2-6-22(14-20)31-11-8-19(9-12-31)28-10-7-21-15-33-16-29-21/h1-6,13-16,19,28H,7-12H2,(H,30,32)
InChIKeyHKODYIZIDDDZLE-UHFFFAOYSA-N
XLogP5.22
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.55
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(3-pyridin-4-ylpropylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 25294988
N-[3-[4-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42166182
N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 42405845
N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 42433832
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 44547277
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
N-[4-[2-[(1-phenylpiperidin-4-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide;dihydrochloride
CID 90214387
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
CID 43596552
N-[3-[4-(2,2-diphenylethylamino)piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 26335398
N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 25294297
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87042478

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 26338800) is N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(N2CCC(NCCc3cscn3)CC2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HKODYIZIDDDZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4OS/c25-24(26,27)18-4-1-3-17(13-18)23(32)30-20-5-2-6-22(14-20)31-11-8-19(9-12-31)28-10-7-21-15-33-16-29-21/h1-6,13-16,19,28H,7-12H2,(H,30,32).
What are the key properties of N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 474.55 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 26338800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).