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

C18H17N5O2S — CID 171355438

IUPACN-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)N/N=C/c3cccc(N)c3)cs2)cc1
InChIInChI=1S/C18H17N5O2S/c1-25-15-7-5-14(6-8-15)21-18-22-16(11-26-18)17(24)23-20-10-12-3-2-4-13(19)9-12/h2-11H,19H2,1H3,(H,21,22)(H,23,24)/b20-10+
InChIKeyJALUDRRPGSFZJY-KEBDBYFISA-N
MW367.43 g/mol
LogP3.24
Rot. Bonds6

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

N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 171355438) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID171355438
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)N/N=C/c3cccc(N)c3)cs2)cc1
InChIInChI=1S/C18H17N5O2S/c1-25-15-7-5-14(6-8-15)21-18-22-16(11-26-18)17(24)23-20-10-12-3-2-4-13(19)9-12/h2-11H,19H2,1H3,(H,21,22)(H,23,24)/b20-10+
InChIKeyJALUDRRPGSFZJY-KEBDBYFISA-N
XLogP3.24
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (CID 171355438) is N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)N/N=C/c3cccc(N)c3)cs2)cc1.
What is the InChIKey of N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is JALUDRRPGSFZJY-KEBDBYFISA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-25-15-7-5-14(6-8-15)21-18-22-16(11-26-18)17(24)23-20-10-12-3-2-4-13(19)9-12/h2-11H,19H2,1H3,(H,21,22)(H,23,24)/b20-10+.
What are the key properties of N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-aminophenyl)methylideneamino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171355438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).