2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole

C11H18NOPS — CID 167990742

IUPAC2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole
SMILESCC1(c2csc(CCP(C)(C)=O)n2)CC1
InChIInChI=1S/C11H18NOPS/c1-11(5-6-11)9-8-15-10(12-9)4-7-14(2,3)13/h8H,4-7H2,1-3H3
InChIKeyBOVCPBLDULFTKD-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.36
Rot. Bonds4

About 2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole

2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole (PubChem CID 167990742) has the molecular formula C11H18NOPS and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole
PubChem CID167990742
Molecular FormulaC11H18NOPS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole
SMILESCC1(c2csc(CCP(C)(C)=O)n2)CC1
InChIInChI=1S/C11H18NOPS/c1-11(5-6-11)9-8-15-10(12-9)4-7-14(2,3)13/h8H,4-7H2,1-3H3
InChIKeyBOVCPBLDULFTKD-UHFFFAOYSA-N
XLogP3.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole
CID 90291718
5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 167955055
2-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 165060327
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
CID 166314569
4-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]oxan-4-amine
CID 114212216
[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66820002
4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine
CID 106815894
2-butyl-1,3-thiazole-4-carbaldehyde
CID 58168525
[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl methanesulfonate
CID 86650891
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopentan-1-amine
CID 79856277
2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624922
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 120629930

Frequently Asked Questions

What is the IUPAC name of 2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole?
The IUPAC name of 2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole (CID 167990742) is 2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole?
The canonical SMILES for 2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole is CC1(c2csc(CCP(C)(C)=O)n2)CC1.
What is the InChIKey of 2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole?
The InChIKey is BOVCPBLDULFTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NOPS/c1-11(5-6-11)9-8-15-10(12-9)4-7-14(2,3)13/h8H,4-7H2,1-3H3.
What are the key properties of 2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole?
2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole has a molecular weight of 243.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dimethylphosphorylethyl)-4-(1-methylcyclopropyl)-1,3-thiazole is sourced from PubChem (CID 167990742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).