2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole

C15H20NO3PS — CID 166282816

IUPAC2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole
SMILESCCOP(=O)(Cc1nc(-c2ccc(C)cc2)cs1)OCC
InChIInChI=1S/C15H20NO3PS/c1-4-18-20(17,19-5-2)10-15-16-14(11-21-15)13-8-6-12(3)7-9-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyLRDSROLZDNRIIF-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.88
Rot. Bonds7

About 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole

2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 166282816) has the molecular formula C15H20NO3PS and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole
PubChem CID166282816
Molecular FormulaC15H20NO3PS
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole
SMILESCCOP(=O)(Cc1nc(-c2ccc(C)cc2)cs1)OCC
InChIInChI=1S/C15H20NO3PS/c1-4-18-20(17,19-5-2)10-15-16-14(11-21-15)13-8-6-12(3)7-9-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyLRDSROLZDNRIIF-UHFFFAOYSA-N
XLogP4.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-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

Related Compounds

ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 16566879
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
CID 159390747
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid
CID 82103135
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
CID 166360122
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
CID 82103343
diethyl 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanedioate
CID 134066790
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole (CID 166282816) is 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole is CCOP(=O)(Cc1nc(-c2ccc(C)cc2)cs1)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is LRDSROLZDNRIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO3PS/c1-4-18-20(17,19-5-2)10-15-16-14(11-21-15)13-8-6-12(3)7-9-13/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole?
2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 325.37 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 166282816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).