2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide

C18H16N4O3S — CID 171350792

IUPAC2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2csc(Nc3ccccc3)n2)ccc1O
InChIInChI=1S/C18H16N4O3S/c1-25-16-9-12(7-8-15(16)23)10-19-22-17(24)14-11-26-18(21-14)20-13-5-3-2-4-6-13/h2-11,23H,1H3,(H,20,21)(H,22,24)/b19-10+
InChIKeyVQOZCKYZWVZXHW-VXLYETTFSA-N
MW368.42 g/mol
LogP3.36
Rot. Bonds6

About 2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide

2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide (PubChem CID 171350792) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
PubChem CID171350792
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2csc(Nc3ccccc3)n2)ccc1O
InChIInChI=1S/C18H16N4O3S/c1-25-16-9-12(7-8-15(16)23)10-19-22-17(24)14-11-26-18(21-14)20-13-5-3-2-4-6-13/h2-11,23H,1H3,(H,20,21)(H,22,24)/b19-10+
InChIKeyVQOZCKYZWVZXHW-VXLYETTFSA-N
XLogP3.36
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide (CID 171350792) is 2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide is COc1cc(/C=N/NC(=O)c2csc(Nc3ccccc3)n2)ccc1O.
What is the InChIKey of 2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide?
The InChIKey is VQOZCKYZWVZXHW-VXLYETTFSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-25-16-9-12(7-8-15(16)23)10-19-22-17(24)14-11-26-18(21-14)20-13-5-3-2-4-6-13/h2-11,23H,1H3,(H,20,21)(H,22,24)/b19-10+.
What are the key properties of 2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide?
2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171350792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).