4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole

C8H14NO2PS — CID 58266067

IUPAC4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole
SMILESCCO[P@@](C)(=O)Cc1csc(C)n1
InChIInChI=1S/C8H14NO2PS/c1-4-11-12(3,10)5-8-6-13-7(2)9-8/h6H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyDTBWPIROGZXQRC-GFCCVEGCSA-N
MW219.25 g/mol
LogP2.90
Rot. Bonds4

About 4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole

4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole (PubChem CID 58266067) has the molecular formula C8H14NO2PS and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole
PubChem CID58266067
Molecular FormulaC8H14NO2PS
Molecular Weight219.25 g/mol
Exact Mass219.05
IUPAC Name4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole
SMILESCCO[P@@](C)(=O)Cc1csc(C)n1
InChIInChI=1S/C8H14NO2PS/c1-4-11-12(3,10)5-8-6-13-7(2)9-8/h6H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyDTBWPIROGZXQRC-GFCCVEGCSA-N
XLogP2.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.90
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

4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
CID 159390747
1,1-diethoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79495928
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 154793219
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid
CID 68999544
ethyl 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 112725057
ethyl 2-(aminomethyl)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106487078
ethyl 2-(2-methyl-1,3-thiazol-4-yl)ethanimidate
CID 62798653
4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 66044328

Frequently Asked Questions

What is the IUPAC name of 4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole (CID 58266067) is 4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole is CCO[P@@](C)(=O)Cc1csc(C)n1.
What is the InChIKey of 4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is DTBWPIROGZXQRC-GFCCVEGCSA-N. The full InChI is InChI=1S/C8H14NO2PS/c1-4-11-12(3,10)5-8-6-13-7(2)9-8/h6H,4-5H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole?
4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 219.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 58266067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).