1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea

C14H23N4OPS — CID 166839849

IUPAC1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea
SMILESCCN1CCN(C)P1OCCNC(=S)Nc1ccccc1
InChIInChI=1S/C14H23N4OPS/c1-3-18-11-10-17(2)20(18)19-12-9-15-14(21)16-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,15,16,21)
InChIKeyIOKSUDYZNWFURF-UHFFFAOYSA-N
MW326.41 g/mol
LogP2.48
Rot. Bonds6

About 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea

1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea (PubChem CID 166839849) has the molecular formula C14H23N4OPS and a molecular weight of 326.41 g/mol. Its IUPAC name is 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea
PubChem CID166839849
Molecular FormulaC14H23N4OPS
Molecular Weight326.41 g/mol
Exact Mass326.13
IUPAC Name1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea
SMILESCCN1CCN(C)P1OCCNC(=S)Nc1ccccc1
InChIInChI=1S/C14H23N4OPS/c1-3-18-11-10-17(2)20(18)19-12-9-15-14(21)16-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,15,16,21)
InChIKeyIOKSUDYZNWFURF-UHFFFAOYSA-N
XLogP2.48
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea 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

1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-phenylthiourea
CID 134471354
2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea
CID 162248290
1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684445
1-(4-ethoxyphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684433
1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684446
1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea
CID 4592854
1-[2-bis[ethyl(methyl)amino]phosphanyloxyethyl]-3-phenylthiourea
CID 134274763
1-phenyl-3-[7-(phenylcarbamothioylamino)heptyl]thiourea
CID 3094104
1-[2-(1,3,2-dioxaphospholan-2-yloxy)ethyl]-3-(4-methoxyphenyl)thiourea
CID 134475077
1-[2-[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]ethyl]-3-phenylthiourea
CID 130445073
1-(2-ethylsulfonylethyl)-3-phenylthiourea
CID 113230875
1-[3-(azepan-1-yl)propyl]-3-(3-ethoxyphenyl)thiourea
CID 100616869

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea?
The IUPAC name of 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea (CID 166839849) is 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea.
What is the SMILES notation for 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea?
The canonical SMILES for 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea is CCN1CCN(C)P1OCCNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea?
The InChIKey is IOKSUDYZNWFURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N4OPS/c1-3-18-11-10-17(2)20(18)19-12-9-15-14(21)16-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,15,16,21).
What are the key properties of 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea?
1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea has a molecular weight of 326.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea is sourced from PubChem (CID 166839849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).