3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one

C15H18N2O2S — CID 135941279

IUPAC3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one
SMILESCCCCn1c(O)c(/C=N/c2ccccc2C)sc1=O
InChIInChI=1S/C15H18N2O2S/c1-3-4-9-17-14(18)13(20-15(17)19)10-16-12-8-6-5-7-11(12)2/h5-8,10,18H,3-4,9H2,1-2H3/b16-10+
InChIKeyLCLVSNJUQCNYSJ-MHWRWJLKSA-N
MW290.39 g/mol
LogP3.47
Rot. Bonds5

About 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one

3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one (PubChem CID 135941279) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one
PubChem CID135941279
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one
SMILESCCCCn1c(O)c(/C=N/c2ccccc2C)sc1=O
InChIInChI=1S/C15H18N2O2S/c1-3-4-9-17-14(18)13(20-15(17)19)10-16-12-8-6-5-7-11(12)2/h5-8,10,18H,3-4,9H2,1-2H3/b16-10+
InChIKeyLCLVSNJUQCNYSJ-MHWRWJLKSA-N
XLogP3.47
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione
CID 3404736
4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione
CID 135398859
4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one
CID 135941255
4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one
CID 135941305
4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one
CID 135941293
1-butyl-5-[(2,5-dimethylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668912
4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941223
3-benzyl-5-[(4-bromophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one
CID 135715288
1-butan-2-yl-6-hydroxy-4-methyl-5-[(2-methylphenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668495
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941224
5-[(2,6-dimethylphenyl)iminomethyl]-1-hexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135669248

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one (CID 135941279) is 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one is CCCCn1c(O)c(/C=N/c2ccccc2C)sc1=O.
What is the InChIKey of 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
The InChIKey is LCLVSNJUQCNYSJ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-4-9-17-14(18)13(20-15(17)19)10-16-12-8-6-5-7-11(12)2/h5-8,10,18H,3-4,9H2,1-2H3/b16-10+.
What are the key properties of 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one has a molecular weight of 290.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135941279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).