N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C14H15N3O2S — CID 6899400

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C14H15N3O2S/c1-9-13(20-10(2)16-9)14(18)17-15-8-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,17,18)/b15-8+
InChIKeyGFMOWRKGOXSSSO-OVCLIPMQSA-N
MW289.36 g/mol
LogP2.53
Rot. Bonds4

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 6899400) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID6899400
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C14H15N3O2S/c1-9-13(20-10(2)16-9)14(18)17-15-8-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,17,18)/b15-8+
InChIKeyGFMOWRKGOXSSSO-OVCLIPMQSA-N
XLogP2.53
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

5-Thiazolecarboxylic acid, 2-amino-4-methyl-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazide
CID 135412158
5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-
CID 3068075
2-amino-N'-(2,3-dimethoxybenzylidene)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 5398443
2-amino-N'-(3,4-dimethoxybenzylidene)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 5398450
N-[(E)-(2-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 6899401
(E)-1-(2-(2-(2-methoxybenzylidene)hydrazinyl)-4-methylthiazol-5-yl)ethanone
CID 9652713
5-Thiazolecarboxamide, 4-methyl-2-(3,4-dimethoxyphenyl)-
CID 3068069
5-Thiazolecarboxamide, 2-(2-methoxyphenyl)-4-methyl-
CID 3068072
5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)-
CID 3068073
5-Thiazolecarboxamide, 2-(2-methoxyphenyl)-4-methyl-N-propyl-
CID 3068074
5-Thiazolecarboxamide, N,4-dimethyl-2-(4-methoxyphenyl)-
CID 3068076
5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-N-propyl-
CID 3068077

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 6899400) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide is COc1ccc(/C=N/NC(=O)c2sc(C)nc2C)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is GFMOWRKGOXSSSO-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-13(20-10(2)16-9)14(18)17-15-8-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,17,18)/b15-8+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 6899400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).