1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone

C23H18NOPS — CID 11728794

IUPAC1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1nccs1
InChIInChI=1S/C23H18NOPS/c25-22(23-24-16-17-27-23)18-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeyBDLILDUGSQLIBT-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.12
Rot. Bonds5

About 1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone

1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone (PubChem CID 11728794) has the molecular formula C23H18NOPS and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone
PubChem CID11728794
Molecular FormulaC23H18NOPS
Molecular Weight387.44 g/mol
Exact Mass387.08
IUPAC Name1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1nccs1
InChIInChI=1S/C23H18NOPS/c25-22(23-24-16-17-27-23)18-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeyBDLILDUGSQLIBT-UHFFFAOYSA-N
XLogP4.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-hydroxy-1-(1,3-thiazol-2-yl)prop-2-en-1-one
CID 64993709
CID 69459233
CID 69459233
potassium;hydride;1,3-thiazole-2-carboxylic acid
CID 174946287
N-(2-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 110467924
3,3-bis(methylsulfanyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-one
CID 2740108
2-diphenylphosphoryl-1,3-thiazole
CID 15426559
N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
CID 91094529
phenyl(1,3-thiazol-2-yl)methanone;(NE)-N-[phenyl(1,3-thiazol-2-yl)methylidene]hydroxylamine
CID 172917333
hydroxy-methyl-oxo-[phenyl(1,3-thiazol-2-yl)methylidene]-λ6-sulfane
CID 91807577
carbanide;1,3-thiazole-2-carbonylazanide;tungsten(2+)
CID 178117150
(E)-3-(2-methylpyrazol-3-yl)-1-(1,3-thiazol-2-yl)prop-2-en-1-one
CID 122635097
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
CID 110467972

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone?
The IUPAC name of 1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone (CID 11728794) is 1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone is O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone?
The InChIKey is BDLILDUGSQLIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18NOPS/c25-22(23-24-16-17-27-23)18-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone?
1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone has a molecular weight of 387.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone is sourced from PubChem (CID 11728794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).