5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole

C19H20NO4PS — CID 44623575

IUPAC5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole
SMILESCOP(=O)(OC)c1sc(-c2ccccc2OCc2ccccc2)nc1C
InChIInChI=1S/C19H20NO4PS/c1-14-19(25(21,22-2)23-3)26-18(20-14)16-11-7-8-12-17(16)24-13-15-9-5-4-6-10-15/h4-12H,13H2,1-3H3
InChIKeyYDMVCTWBNCVMCD-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.81
Rot. Bonds7

About 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole

5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole (PubChem CID 44623575) has the molecular formula C19H20NO4PS and a molecular weight of 389.41 g/mol. Its IUPAC name is 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole
PubChem CID44623575
Molecular FormulaC19H20NO4PS
Molecular Weight389.41 g/mol
Exact Mass389.09
IUPAC Name5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole
SMILESCOP(=O)(OC)c1sc(-c2ccccc2OCc2ccccc2)nc1C
InChIInChI=1S/C19H20NO4PS/c1-14-19(25(21,22-2)23-3)26-18(20-14)16-11-7-8-12-17(16)24-13-15-9-5-4-6-10-15/h4-12H,13H2,1-3H3
InChIKeyYDMVCTWBNCVMCD-UHFFFAOYSA-N
XLogP4.81
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole?
The IUPAC name of 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole (CID 44623575) is 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole is COP(=O)(OC)c1sc(-c2ccccc2OCc2ccccc2)nc1C.
What is the InChIKey of 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole?
The InChIKey is YDMVCTWBNCVMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO4PS/c1-14-19(25(21,22-2)23-3)26-18(20-14)16-11-7-8-12-17(16)24-13-15-9-5-4-6-10-15/h4-12H,13H2,1-3H3.
What are the key properties of 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole?
5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole has a molecular weight of 389.41 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 44623575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).