4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one

C17H16N2O2S — CID 135941255

IUPAC4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one
SMILESCC(C)n1c(O)c(/C=N/c2cccc3ccccc23)sc1=O
InChIInChI=1S/C17H16N2O2S/c1-11(2)19-16(20)15(22-17(19)21)10-18-14-9-5-7-12-6-3-4-8-13(12)14/h3-11,20H,1-2H3/b18-10+
InChIKeySMOABHVSELYJEQ-VCHYOVAHSA-N
MW312.39 g/mol
LogP4.10
Rot. Bonds3

About 4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one

4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one (PubChem CID 135941255) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one
PubChem CID135941255
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one
SMILESCC(C)n1c(O)c(/C=N/c2cccc3ccccc23)sc1=O
InChIInChI=1S/C17H16N2O2S/c1-11(2)19-16(20)15(22-17(19)21)10-18-14-9-5-7-12-6-3-4-8-13(12)14/h3-11,20H,1-2H3/b18-10+
InChIKeySMOABHVSELYJEQ-VCHYOVAHSA-N
XLogP4.10
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.10
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-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one (CID 135941255) is 4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one is CC(C)n1c(O)c(/C=N/c2cccc3ccccc23)sc1=O.
What is the InChIKey of 4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one?
The InChIKey is SMOABHVSELYJEQ-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11(2)19-16(20)15(22-17(19)21)10-18-14-9-5-7-12-6-3-4-8-13(12)14/h3-11,20H,1-2H3/b18-10+.
What are the key properties of 4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one?
4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one has a molecular weight of 312.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one is sourced from PubChem (CID 135941255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).