1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea

C19H24N2S — CID 8658472

IUPAC1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2S/c1-14(2)16-9-11-18(12-10-16)21-19(22)20-13-15(3)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H2,20,21,22)/t15-/m0/s1
InChIKeyQQHFLETUXCYQDR-HNNXBMFYSA-N
MW312.48 g/mol
LogP4.90
Rot. Bonds5

About 1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea

1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 8658472) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
PubChem CID8658472
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2S/c1-14(2)16-9-11-18(12-10-16)21-19(22)20-13-15(3)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H2,20,21,22)/t15-/m0/s1
InChIKeyQQHFLETUXCYQDR-HNNXBMFYSA-N
XLogP4.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-(2-phenylpropyl)thiourea
CID 115570733
1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea
CID 19650217
1-[(2R)-2-benzylbutyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100704194
1-benzyl-3-(2-phenylpropyl)thiourea
CID 84823017
1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea
CID 8657811
1-(4-tert-butylphenyl)-3-(2,2-diphenylethyl)thiourea
CID 3281911
1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 9232743
1-benzyl-1-methyl-3-(4-propan-2-ylphenyl)thiourea
CID 8619912
1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea
CID 3008818
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8624818
1-(1-benzylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)thiourea
CID 17298835

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea (CID 8658472) is 1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea is CC(C)c1ccc(NC(=S)NC[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is QQHFLETUXCYQDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-14(2)16-9-11-18(12-10-16)21-19(22)20-13-15(3)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H2,20,21,22)/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea?
1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 312.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 8658472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).