N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

C21H14F3N5O2S — CID 136883475

IUPACN-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N/N=C\c1ccccc1O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1
InChIInChI=1S/C21H14F3N5O2S/c22-21(23,24)18-10-16(13-6-2-1-3-7-13)29(28-18)20-26-15(12-32-20)19(31)27-25-11-14-8-4-5-9-17(14)30/h1-12,30H,(H,27,31)/b25-11-
InChIKeyKPKSZJVXEUTWBH-GATIEOLUSA-N
MW457.44 g/mol
LogP4.48
Rot. Bonds5

About N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 136883475) has the molecular formula C21H14F3N5O2S and a molecular weight of 457.44 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID136883475
Molecular FormulaC21H14F3N5O2S
Molecular Weight457.44 g/mol
Exact Mass457.08
IUPAC NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N/N=C\c1ccccc1O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1
InChIInChI=1S/C21H14F3N5O2S/c22-21(23,24)18-10-16(13-6-2-1-3-7-13)29(28-18)20-26-15(12-32-20)19(31)27-25-11-14-8-4-5-9-17(14)30/h1-12,30H,(H,27,31)/b25-11-
InChIKeyKPKSZJVXEUTWBH-GATIEOLUSA-N
XLogP4.48
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135688694
2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 69300880
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 136781430
N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 55352793
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 135723550
[3-[2-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl] acetate
CID 1498258
N-[(2-hydroxyphenyl)methylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1079705
5-tert-butyl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135909108
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 135529797
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 136883475) is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is O=C(N/N=C\c1ccccc1O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1.
What is the InChIKey of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KPKSZJVXEUTWBH-GATIEOLUSA-N. The full InChI is InChI=1S/C21H14F3N5O2S/c22-21(23,24)18-10-16(13-6-2-1-3-7-13)29(28-18)20-26-15(12-32-20)19(31)27-25-11-14-8-4-5-9-17(14)30/h1-12,30H,(H,27,31)/b25-11-.
What are the key properties of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 457.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136883475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).