1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea

C17H20N2O3S — CID 799360

IUPAC1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
SMILESCOc1cc(NC(=S)NC[C@H](O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C17H20N2O3S/c1-21-14-8-13(9-15(10-14)22-2)19-17(23)18-11-16(20)12-6-4-3-5-7-12/h3-10,16,20H,11H2,1-2H3,(H2,18,19,23)/t16-/m0/s1
InChIKeyZJDCGGNNIQWENZ-INIZCTEOSA-N
MW332.43 g/mol
LogP2.72
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea

1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea (PubChem CID 799360) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
PubChem CID799360
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
SMILESCOc1cc(NC(=S)NC[C@H](O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C17H20N2O3S/c1-21-14-8-13(9-15(10-14)22-2)19-17(23)18-11-16(20)12-6-4-3-5-7-12/h3-10,16,20H,11H2,1-2H3,(H2,18,19,23)/t16-/m0/s1
InChIKeyZJDCGGNNIQWENZ-INIZCTEOSA-N
XLogP2.72
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
CID 799934
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-(3,5-dimethoxyphenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53488693
1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 17298438
1-(2,5-dimethylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
CID 7028878
1-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)thiourea
CID 800738
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea
CID 8656989
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106081
1-(2,3-dimethylphenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
CID 4160327
1-(3,5-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)thiourea
CID 17284844
1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea
CID 3647225
1-phenyl-3-(2-phenylpropyl)thiourea
CID 115570733

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea (CID 799360) is 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea is COc1cc(NC(=S)NC[C@H](O)c2ccccc2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea?
The InChIKey is ZJDCGGNNIQWENZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-21-14-8-13(9-15(10-14)22-2)19-17(23)18-11-16(20)12-6-4-3-5-7-12/h3-10,16,20H,11H2,1-2H3,(H2,18,19,23)/t16-/m0/s1.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea?
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea has a molecular weight of 332.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea is sourced from PubChem (CID 799360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).