1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea

C18H22N2O2S — CID 133217120

IUPAC1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
SMILESCOc1ccccc1OCC(C)NC(=S)Nc1ccc(C)cc1
InChIInChI=1S/C18H22N2O2S/c1-13-8-10-15(11-9-13)20-18(23)19-14(2)12-22-17-7-5-4-6-16(17)21-3/h4-11,14H,12H2,1-3H3,(H2,19,20,23)
InChIKeyKSDXCULYMGCCLH-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.76
Rot. Bonds6

About 1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea

1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea (PubChem CID 133217120) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
PubChem CID133217120
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
SMILESCOc1ccccc1OCC(C)NC(=S)Nc1ccc(C)cc1
InChIInChI=1S/C18H22N2O2S/c1-13-8-10-15(11-9-13)20-18(23)19-14(2)12-22-17-7-5-4-6-16(17)21-3/h4-11,14H,12H2,1-3H3,(H2,19,20,23)
InChIKeyKSDXCULYMGCCLH-UHFFFAOYSA-N
XLogP3.76
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.76
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-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
CID 100751024
1-(4-fluorophenyl)-3-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]thiourea
CID 100751303
1-[(2R)-1-(2-methylphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
CID 99643583
1-(3,4-dimethoxyphenyl)-3-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]thiourea
CID 100751257
1-(4-methoxyphenyl)-3-[1-(2-methylphenoxy)propan-2-yl]thiourea
CID 47511471
1-(4-methoxyphenyl)-3-[(2R)-1-(4-methylphenoxy)propan-2-yl]thiourea
CID 100707948
1-(3-chloro-4-fluorophenyl)-3-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]thiourea
CID 100751450
1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea
CID 99997474
1-(1,3-benzodioxol-5-yl)-3-[1-(2-methoxyphenoxy)propan-2-yl]thiourea
CID 133217140
1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100751951
1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 100751248
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-(2-methoxyphenoxy)propan-2-yl]thiourea
CID 133217145

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea (CID 133217120) is 1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea is COc1ccccc1OCC(C)NC(=S)Nc1ccc(C)cc1.
What is the InChIKey of 1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea?
The InChIKey is KSDXCULYMGCCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-8-10-15(11-9-13)20-18(23)19-14(2)12-22-17-7-5-4-6-16(17)21-3/h4-11,14H,12H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea?
1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea has a molecular weight of 330.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 133217120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).