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

C19H24N2OS — CID 100649697

IUPAC1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea
SMILESCC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-4-18(15-9-6-5-7-10-15)21-19(23)20-16-11-8-12-17(13-16)22-14(2)3/h5-14,18H,4H2,1-3H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyZSDRVEQZWUBJRI-GOSISDBHSA-N
MW328.48 g/mol
LogP4.91
Rot. Bonds6

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

1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea (PubChem CID 100649697) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea
PubChem CID100649697
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea
SMILESCC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-4-18(15-9-6-5-7-10-15)21-19(23)20-16-11-8-12-17(13-16)22-14(2)3/h5-14,18H,4H2,1-3H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyZSDRVEQZWUBJRI-GOSISDBHSA-N
XLogP4.91
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.91
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

1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea
CID 133174482
1-[(S)-(4-methylphenyl)-phenylmethyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100661240
1-[1-(4-butan-2-ylphenyl)propyl]-3-(3-methoxyphenyl)thiourea
CID 19675554
1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652655
1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8619758
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(3-ethoxyphenyl)thiourea
CID 133216626
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-phenylthiourea
CID 99997533
1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100634662
N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154871
1-tert-butyl-3-(3-propan-2-yloxyphenyl)thiourea
CID 100582169
1-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)thiourea
CID 133197037

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea?
The IUPAC name of 1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea (CID 100649697) is 1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea.
What is the SMILES notation for 1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea?
The canonical SMILES for 1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea is CC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea?
The InChIKey is ZSDRVEQZWUBJRI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-4-18(15-9-6-5-7-10-15)21-19(23)20-16-11-8-12-17(13-16)22-14(2)3/h5-14,18H,4H2,1-3H3,(H2,20,21,23)/t18-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea?
1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea has a molecular weight of 328.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea is sourced from PubChem (CID 100649697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).