4-(dimethylphosphoryloxymethyl)-1,3-thiazole

C6H10NO2PS — CID 123710075

IUPAC4-(dimethylphosphoryloxymethyl)-1,3-thiazole
SMILESCP(C)(=O)OCc1cscn1
InChIInChI=1S/C6H10NO2PS/c1-10(2,8)9-3-6-4-11-5-7-6/h4-5H,3H2,1-2H3
InChIKeyXJADNZIRVGRYLT-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.20
Rot. Bonds3

About 4-(dimethylphosphoryloxymethyl)-1,3-thiazole

4-(dimethylphosphoryloxymethyl)-1,3-thiazole (PubChem CID 123710075) has the molecular formula C6H10NO2PS and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-(dimethylphosphoryloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethylphosphoryloxymethyl)-1,3-thiazole
PubChem CID123710075
Molecular FormulaC6H10NO2PS
Molecular Weight191.19 g/mol
Exact Mass191.02
IUPAC Name4-(dimethylphosphoryloxymethyl)-1,3-thiazole
SMILESCP(C)(=O)OCc1cscn1
InChIInChI=1S/C6H10NO2PS/c1-10(2,8)9-3-6-4-11-5-7-6/h4-5H,3H2,1-2H3
InChIKeyXJADNZIRVGRYLT-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-thiazol-4-ylmethoxymethylphosphonic acid
CID 22280493
1,3-thiazol-4-ylmethyl acetate
CID 45117618
4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 118075361
N-ethyl-2-(1,3-thiazol-4-yl)acetamide
CID 110462780
4-(6-methoxyhexyl)-1,3-thiazole
CID 67276018
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
4-(fluoromethyl)-1,3-thiazole
CID 76551954
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28933165
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
2-[methyl(1,3-thiazol-4-yl)phosphoryl]acetic acid
CID 170702483
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylphosphoryloxymethyl)-1,3-thiazole?
The IUPAC name of 4-(dimethylphosphoryloxymethyl)-1,3-thiazole (CID 123710075) is 4-(dimethylphosphoryloxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethylphosphoryloxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethylphosphoryloxymethyl)-1,3-thiazole is CP(C)(=O)OCc1cscn1.
What is the InChIKey of 4-(dimethylphosphoryloxymethyl)-1,3-thiazole?
The InChIKey is XJADNZIRVGRYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO2PS/c1-10(2,8)9-3-6-4-11-5-7-6/h4-5H,3H2,1-2H3.
What are the key properties of 4-(dimethylphosphoryloxymethyl)-1,3-thiazole?
4-(dimethylphosphoryloxymethyl)-1,3-thiazole has a molecular weight of 191.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylphosphoryloxymethyl)-1,3-thiazole is sourced from PubChem (CID 123710075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).