1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea

C18H20N2O2S — CID 7944422

IUPAC1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea
SMILESCCOc1ccc(Oc2ccccc2NC(=S)NC2CC2)cc1
InChIInChI=1S/C18H20N2O2S/c1-2-21-14-9-11-15(12-10-14)22-17-6-4-3-5-16(17)20-18(23)19-13-7-8-13/h3-6,9-13H,2,7-8H2,1H3,(H2,19,20,23)
InChIKeyGVTIOBMEWHPGJS-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.33
Rot. Bonds6

About 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea

1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea (PubChem CID 7944422) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea
PubChem CID7944422
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea
SMILESCCOc1ccc(Oc2ccccc2NC(=S)NC2CC2)cc1
InChIInChI=1S/C18H20N2O2S/c1-2-21-14-9-11-15(12-10-14)22-17-6-4-3-5-16(17)20-18(23)19-13-7-8-13/h3-6,9-13H,2,7-8H2,1H3,(H2,19,20,23)
InChIKeyGVTIOBMEWHPGJS-UHFFFAOYSA-N
XLogP4.33
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea 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-cyclopentyl-3-(2-phenoxyphenyl)thiourea
CID 971568
1-cycloheptyl-3-(2-ethoxyphenyl)thiourea
CID 19650473
1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea
CID 2084266
1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea
CID 8660601
1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943
4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672214
2-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974382
6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 60563554
(2R)-N-[2-(4-ethoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 39971968
1-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]thiourea
CID 113219617
N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 16566586
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2-ethoxyphenyl)thiourea
CID 11859384

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea (CID 7944422) is 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea is CCOc1ccc(Oc2ccccc2NC(=S)NC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea?
The InChIKey is GVTIOBMEWHPGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-2-21-14-9-11-15(12-10-14)22-17-6-4-3-5-16(17)20-18(23)19-13-7-8-13/h3-6,9-13H,2,7-8H2,1H3,(H2,19,20,23).
What are the key properties of 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea?
1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea has a molecular weight of 328.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea is sourced from PubChem (CID 7944422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).