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

C15H16N4O3S — CID 24939056

IUPAC2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2sc(NC(C)=O)nc2C)cc1
InChIInChI=1S/C15H16N4O3S/c1-9-13(23-15(17-9)18-10(2)20)14(21)19-16-8-11-4-6-12(22-3)7-5-11/h4-8H,1-3H3,(H,19,21)(H,17,18,20)/b16-8+
InChIKeyKPYLLFZGVZQIIS-LZYBPNLTSA-N
MW332.39 g/mol
LogP2.18
Rot. Bonds5

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

2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24939056) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24939056
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2sc(NC(C)=O)nc2C)cc1
InChIInChI=1S/C15H16N4O3S/c1-9-13(23-15(17-9)18-10(2)20)14(21)19-16-8-11-4-6-12(22-3)7-5-11/h4-8H,1-3H3,(H,19,21)(H,17,18,20)/b16-8+
InChIKeyKPYLLFZGVZQIIS-LZYBPNLTSA-N
XLogP2.18
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8878410
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 123654254
2-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 89469836
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 136732798
2-[4-[(E)-[[2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 45124744
N-[(4-bromophenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 2337797
2-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136702168
5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 57401603
2-amino-N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5398570
[4-[(E)-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110341092

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 24939056) is 2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(/C=N/NC(=O)c2sc(NC(C)=O)nc2C)cc1.
What is the InChIKey of 2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KPYLLFZGVZQIIS-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-9-13(23-15(17-9)18-10(2)20)14(21)19-16-8-11-4-6-12(22-3)7-5-11/h4-8H,1-3H3,(H,19,21)(H,17,18,20)/b16-8+.
What are the key properties of 2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24939056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).