2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole

C11H20NO3PS — CID 54273748

IUPAC2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole
SMILESCCOP(=O)(Cc1nc(C(C)C)cs1)OCC
InChIInChI=1S/C11H20NO3PS/c1-5-14-16(13,15-6-2)7-11-12-10(8-17-11)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyRLYNULRMBQZDIK-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.03
Rot. Bonds7

About 2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole

2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole (PubChem CID 54273748) has the molecular formula C11H20NO3PS and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole
PubChem CID54273748
Molecular FormulaC11H20NO3PS
Molecular Weight277.33 g/mol
Exact Mass277.09
IUPAC Name2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole
SMILESCCOP(=O)(Cc1nc(C(C)C)cs1)OCC
InChIInChI=1S/C11H20NO3PS/c1-5-14-16(13,15-6-2)7-11-12-10(8-17-11)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyRLYNULRMBQZDIK-UHFFFAOYSA-N
XLogP4.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Diethoxyphosphorylmethyl)-2-methyl-1,3-thiazole
CID 2763197
2-(Diisopropoxyphosphorylmethyl)-4-methyl-thiazole
CID 383123
[Fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid
CID 19025771
4-[Diethoxyphosphoryl(fluoro)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 54447233
2-[Diethoxyphosphoryl(fluoro)methyl]-4-propan-2-yl-1,3-thiazole
CID 139629507
4-Cyclobutyl-2-(diethoxyphosphoryl-methyl)-thiazole
CID 11066163
diethyl (R)-(1-(thiazol-4-yl)ethyl)phosphonate
CID 166637243
[Fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-dioxido-oxo-lambda5-phosphane
CID 19025770
Diethyl 2-isopropylthiazole-4-methylphosphonate
CID 2763198
[(4-Ethyl-1,3-thiazol-2-yl)-phosphonomethyl]phosphonic acid
CID 18788103
[2-(2-Methyl-1,3-thiazol-4-yl)-1-phosphonoethyl]phosphonic acid
CID 21288952
[2-(2-Methyl-1,3-thiazol-4-yl)-1-phosphonopropyl]phosphonic acid
CID 21288962

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole (CID 54273748) is 2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole is CCOP(=O)(Cc1nc(C(C)C)cs1)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is RLYNULRMBQZDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO3PS/c1-5-14-16(13,15-6-2)7-11-12-10(8-17-11)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole?
2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 277.33 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethyl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 54273748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).