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

C19H18N4O3S — CID 171346165

IUPAC2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2csc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H18N4O3S/c1-25-15-7-3-13(4-8-15)11-20-23-18(24)17-12-27-19(22-17)21-14-5-9-16(26-2)10-6-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/b20-11+
InChIKeyRNJVYHUYDVDPSY-RGVLZGJSSA-N
MW382.45 g/mol
LogP3.67
Rot. Bonds7

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

2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide (PubChem CID 171346165) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
PubChem CID171346165
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2csc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H18N4O3S/c1-25-15-7-3-13(4-8-15)11-20-23-18(24)17-12-27-19(22-17)21-14-5-9-16(26-2)10-6-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/b20-11+
InChIKeyRNJVYHUYDVDPSY-RGVLZGJSSA-N
XLogP3.67
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide (CID 171346165) is 2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide is COc1ccc(/C=N/NC(=O)c2csc(Nc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide?
The InChIKey is RNJVYHUYDVDPSY-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-25-15-7-3-13(4-8-15)11-20-23-18(24)17-12-27-19(22-17)21-14-5-9-16(26-2)10-6-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/b20-11+.
What are the key properties of 2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide?
2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171346165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).