1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea

C18H20N2OS — CID 3723161

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea
SMILESCCOc1ccccc1NC(=S)NC1CCc2ccccc21
InChIInChI=1S/C18H20N2OS/c1-2-21-17-10-6-5-9-16(17)20-18(22)19-15-12-11-13-7-3-4-8-14(13)15/h3-10,15H,2,11-12H2,1H3,(H2,19,20,22)
InChIKeyUHEAWFKEGLDGHU-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.06
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea

1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea (PubChem CID 3723161) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea
PubChem CID3723161
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea
SMILESCCOc1ccccc1NC(=S)NC1CCc2ccccc21
InChIInChI=1S/C18H20N2OS/c1-2-21-17-10-6-5-9-16(17)20-18(22)19-15-12-11-13-7-3-4-8-14(13)15/h3-10,15H,2,11-12H2,1H3,(H2,19,20,22)
InChIKeyUHEAWFKEGLDGHU-UHFFFAOYSA-N
XLogP4.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191712
1-cycloheptyl-3-(2-ethoxyphenyl)thiourea
CID 19650473
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2-ethoxyphenyl)thiourea
CID 11859384
1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652717
1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 2441518
1-(2-chloro-4-methylphenyl)-3-(2,3-dihydro-1H-inden-1-yl)thiourea
CID 3726119
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 51273774
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 6596704
1-(2-cyclopentyloxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 75415529
1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 100642601
1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea
CID 7944422
N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 63453182

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea (CID 3723161) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea is CCOc1ccccc1NC(=S)NC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea?
The InChIKey is UHEAWFKEGLDGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-2-21-17-10-6-5-9-16(17)20-18(22)19-15-12-11-13-7-3-4-8-14(13)15/h3-10,15H,2,11-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea?
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea has a molecular weight of 312.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea is sourced from PubChem (CID 3723161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).