2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone

C16H26NO2PS — CID 140993900

IUPAC2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone
SMILESCCP(=O)(CC)CC(=O)c1csc(C2(C)CCCCC2)n1
InChIInChI=1S/C16H26NO2PS/c1-4-20(19,5-2)11-14(18)13-12-21-15(17-13)16(3)9-7-6-8-10-16/h12H,4-11H2,1-3H3
InChIKeyHPYLCLAYRSGXKY-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.95
Rot. Bonds6

About 2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone

2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 140993900) has the molecular formula C16H26NO2PS and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone
PubChem CID140993900
Molecular FormulaC16H26NO2PS
Molecular Weight327.43 g/mol
Exact Mass327.14
IUPAC Name2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone
SMILESCCP(=O)(CC)CC(=O)c1csc(C2(C)CCCCC2)n1
InChIInChI=1S/C16H26NO2PS/c1-4-20(19,5-2)11-14(18)13-12-21-15(17-13)16(3)9-7-6-8-10-16/h12H,4-11H2,1-3H3
InChIKeyHPYLCLAYRSGXKY-UHFFFAOYSA-N
XLogP4.95
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.95
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

2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde
CID 115015990
5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid
CID 115026295
ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate
CID 80574312
2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 62787757
1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone
CID 64543409
1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 62040435
N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 114311521
2-(1-methoxycyclobutyl)-1,3-thiazole-4-carboxylic acid
CID 116705157
2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 66389528
2-(1-carboxycyclopropyl)-1,3-thiazole-4-carboxylic acid
CID 82673904
2-[[(1-methylcycloheptanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527099
2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid
CID 64686290

Frequently Asked Questions

What is the IUPAC name of 2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone (CID 140993900) is 2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone is CCP(=O)(CC)CC(=O)c1csc(C2(C)CCCCC2)n1.
What is the InChIKey of 2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is HPYLCLAYRSGXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26NO2PS/c1-4-20(19,5-2)11-14(18)13-12-21-15(17-13)16(3)9-7-6-8-10-16/h12H,4-11H2,1-3H3.
What are the key properties of 2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone?
2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 140993900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).