N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide

C26H26F6N4O3S — CID 59594675

IUPACN'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide
SMILESCOc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)ccc1/C(N)=N/O
InChIInChI=1S/C26H26F6N4O3S/c1-38-21-12-18(6-7-19(21)23(33)35-37)39-14-22-20(13-36-10-8-17(9-11-36)26(30,31)32)34-24(40-22)15-2-4-16(5-3-15)25(27,28)29/h2-7,12,17,37H,8-11,13-14H2,1H3,(H2,33,35)
InChIKeyKVXRXSJPUHXBSW-UHFFFAOYSA-N
MW588.57 g/mol
LogP6.29
Rot. Bonds8

About N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide

N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide (PubChem CID 59594675) has the molecular formula C26H26F6N4O3S and a molecular weight of 588.57 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide
PubChem CID59594675
Molecular FormulaC26H26F6N4O3S
Molecular Weight588.57 g/mol
Exact Mass588.16
IUPAC NameN'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide
SMILESCOc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)ccc1/C(N)=N/O
InChIInChI=1S/C26H26F6N4O3S/c1-38-21-12-18(6-7-19(21)23(33)35-37)39-14-22-20(13-36-10-8-17(9-11-36)26(30,31)32)34-24(40-22)15-2-4-16(5-3-15)25(27,28)29/h2-7,12,17,37H,8-11,13-14H2,1H3,(H2,33,35)
InChIKeyKVXRXSJPUHXBSW-UHFFFAOYSA-N
XLogP6.29
TPSA93.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.57
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide 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'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide (CID 59594675) is N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide is COc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide?
The InChIKey is KVXRXSJPUHXBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F6N4O3S/c1-38-21-12-18(6-7-19(21)23(33)35-37)39-14-22-20(13-36-10-8-17(9-11-36)26(30,31)32)34-24(40-22)15-2-4-16(5-3-15)25(27,28)29/h2-7,12,17,37H,8-11,13-14H2,1H3,(H2,33,35).
What are the key properties of N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide?
N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide has a molecular weight of 588.57 g/mol, XLogP of 6.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide is sourced from PubChem (CID 59594675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).