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

C15H18N2O2S — CID 135941293

IUPAC4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one
SMILESCc1ccc(/N=C/c2sc(=O)n(CC(C)C)c2O)cc1
InChIInChI=1S/C15H18N2O2S/c1-10(2)9-17-14(18)13(20-15(17)19)8-16-12-6-4-11(3)5-7-12/h4-8,10,18H,9H2,1-3H3/b16-8+
InChIKeyKLWYANDUHVMUPA-LZYBPNLTSA-N
MW290.39 g/mol
LogP3.33
Rot. Bonds4

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

4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one (PubChem CID 135941293) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one
PubChem CID135941293
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one
SMILESCc1ccc(/N=C/c2sc(=O)n(CC(C)C)c2O)cc1
InChIInChI=1S/C15H18N2O2S/c1-10(2)9-17-14(18)13(20-15(17)19)8-16-12-6-4-11(3)5-7-12/h4-8,10,18H,9H2,1-3H3/b16-8+
InChIKeyKLWYANDUHVMUPA-LZYBPNLTSA-N
XLogP3.33
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one (CID 135941293) is 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one is Cc1ccc(/N=C/c2sc(=O)n(CC(C)C)c2O)cc1.
What is the InChIKey of 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one?
The InChIKey is KLWYANDUHVMUPA-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)9-17-14(18)13(20-15(17)19)8-16-12-6-4-11(3)5-7-12/h4-8,10,18H,9H2,1-3H3/b16-8+.
What are the key properties of 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one?
4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one has a molecular weight of 290.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 135941293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).