1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea

C20H24N2S — CID 2441518

IUPAC1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SMILESCC(C)c1ccccc1NC(=S)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H24N2S/c1-14(2)16-10-5-6-12-18(16)21-20(23)22-19-13-7-9-15-8-3-4-11-17(15)19/h3-6,8,10-12,14,19H,7,9,13H2,1-2H3,(H2,21,22,23)/t19-/m1/s1
InChIKeyJEXPOMGUIQSBSC-LJQANCHMSA-N
MW324.49 g/mol
LogP5.17
Rot. Bonds3

About 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea

1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea (PubChem CID 2441518) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
PubChem CID2441518
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC Name1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SMILESCC(C)c1ccccc1NC(=S)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H24N2S/c1-14(2)16-10-5-6-12-18(16)21-20(23)22-19-13-7-9-15-8-3-4-11-17(15)19/h3-6,8,10-12,14,19H,7,9,13H2,1-2H3,(H2,21,22,23)/t19-/m1/s1
InChIKeyJEXPOMGUIQSBSC-LJQANCHMSA-N
XLogP5.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea with MolForge

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Related Compounds

1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 6596704
1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652717
1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 62304428
1-(4-chlorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669333
1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652714
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea
CID 3723161
1-(1-methoxypropan-2-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 46800324
1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669343
1-(3,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 133214458
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100641487
1-[4-(difluoromethylsulfanyl)phenyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 2453667
1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 7744929

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The IUPAC name of 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea (CID 2441518) is 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The canonical SMILES for 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea is CC(C)c1ccccc1NC(=S)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The InChIKey is JEXPOMGUIQSBSC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2S/c1-14(2)16-10-5-6-12-18(16)21-20(23)22-19-13-7-9-15-8-3-4-11-17(15)19/h3-6,8,10-12,14,19H,7,9,13H2,1-2H3,(H2,21,22,23)/t19-/m1/s1.
What are the key properties of 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea has a molecular weight of 324.49 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea is sourced from PubChem (CID 2441518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).