1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea

C18H20N2O2S — CID 8547035

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)NC2Cc3ccccc3C2)c(OC)c1
InChIInChI=1S/C18H20N2O2S/c1-21-15-7-8-16(17(11-15)22-2)20-18(23)19-14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14H,9-10H2,1-2H3,(H2,19,20,23)
InChIKeyAOAXZPUZOJFKPB-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.16
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea

1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea (PubChem CID 8547035) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea
PubChem CID8547035
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)NC2Cc3ccccc3C2)c(OC)c1
InChIInChI=1S/C18H20N2O2S/c1-21-15-7-8-16(17(11-15)22-2)20-18(23)19-14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14H,9-10H2,1-2H3,(H2,19,20,23)
InChIKeyAOAXZPUZOJFKPB-UHFFFAOYSA-N
XLogP3.16
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
1-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethoxyphenyl)thiourea
CID 43813849
1-(2,4-dimethoxyphenyl)-3-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea
CID 7450087
1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 800539
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846354
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 1346793
1-(2-chloro-4-methoxyphenyl)-3-cyclohexylthiourea
CID 5220485
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 2212546
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-phenoxypropan-2-yl]thiourea
CID 100750356
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 110860613

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea (CID 8547035) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea is COc1ccc(NC(=S)NC2Cc3ccccc3C2)c(OC)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea?
The InChIKey is AOAXZPUZOJFKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-21-15-7-8-16(17(11-15)22-2)20-18(23)19-14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14H,9-10H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea has a molecular weight of 328.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea is sourced from PubChem (CID 8547035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).