5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole

C17H16NOPS — CID 11781963

IUPAC5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(CP(=O)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C17H16NOPS/c1-14-18-12-17(21-14)13-20(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKeyXVLNDYOXOVSWBZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.97
Rot. Bonds4

About 5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole

5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole (PubChem CID 11781963) has the molecular formula C17H16NOPS and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole
PubChem CID11781963
Molecular FormulaC17H16NOPS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(CP(=O)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C17H16NOPS/c1-14-18-12-17(21-14)13-20(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKeyXVLNDYOXOVSWBZ-UHFFFAOYSA-N
XLogP3.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole (CID 11781963) is 5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole is Cc1ncc(CP(=O)(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole?
The InChIKey is XVLNDYOXOVSWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16NOPS/c1-14-18-12-17(21-14)13-20(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,13H2,1H3.
What are the key properties of 5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole?
5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole has a molecular weight of 313.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 11781963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).