N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide

C18H16N4O2S — CID 136508306

IUPACN-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESCc1cc(/C=N/NC(=O)c2cc(-c3ccccn3)ns2)cc(C)c1O
InChIInChI=1S/C18H16N4O2S/c1-11-7-13(8-12(2)17(11)23)10-20-21-18(24)16-9-15(22-25-16)14-5-3-4-6-19-14/h3-10,23H,1-2H3,(H,21,24)/b20-10+
InChIKeyPANOYDNXQIGHHH-KEBDBYFISA-N
MW352.42 g/mol
LogP3.29
Rot. Bonds4

About N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide

N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide (PubChem CID 136508306) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
PubChem CID136508306
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESCc1cc(/C=N/NC(=O)c2cc(-c3ccccn3)ns2)cc(C)c1O
InChIInChI=1S/C18H16N4O2S/c1-11-7-13(8-12(2)17(11)23)10-20-21-18(24)16-9-15(22-25-16)14-5-3-4-6-19-14/h3-10,23H,1-2H3,(H,21,24)/b20-10+
InChIKeyPANOYDNXQIGHHH-KEBDBYFISA-N
XLogP3.29
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 135505377
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078735
N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 136508300
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135730571
N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide
CID 9015650
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137045218
N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5124745

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide (CID 136508306) is N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide is Cc1cc(/C=N/NC(=O)c2cc(-c3ccccn3)ns2)cc(C)c1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The InChIKey is PANOYDNXQIGHHH-KEBDBYFISA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-11-7-13(8-12(2)17(11)23)10-20-21-18(24)16-9-15(22-25-16)14-5-3-4-6-19-14/h3-10,23H,1-2H3,(H,21,24)/b20-10+.
What are the key properties of N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 136508306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).