1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea

C19H24N2O2S — CID 2207743

IUPAC1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
SMILESCOc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C19H24N2O2S/c1-12-6-7-13(2)16(10-12)14(3)20-19(24)21-17-9-8-15(22-4)11-18(17)23-5/h6-11,14H,1-5H3,(H2,20,21,24)/t14-/m0/s1
InChIKeyAXJXSLPOQKYZRV-AWEZNQCLSA-N
MW344.48 g/mol
LogP4.37
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea

1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea (PubChem CID 2207743) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
PubChem CID2207743
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
SMILESCOc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C19H24N2O2S/c1-12-6-7-13(2)16(10-12)14(3)20-19(24)21-17-9-8-15(22-4)11-18(17)23-5/h6-11,14H,1-5H3,(H2,20,21,24)/t14-/m0/s1
InChIKeyAXJXSLPOQKYZRV-AWEZNQCLSA-N
XLogP4.37
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.37
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-[1-(2,5-dimethylphenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 19675144
1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea
CID 19675164
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 133215327
1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea
CID 19675228
1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 800539
1,3-bis(2-methoxy-4-methylphenyl)thiourea
CID 17370539
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 961018
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 100651831
2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol
CID 43504604
1-(4-bromo-2-fluorophenyl)-3-[(1R)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 100670401
N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
CID 43191590
1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 100670837

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea (CID 2207743) is 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea is COc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea?
The InChIKey is AXJXSLPOQKYZRV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12-6-7-13(2)16(10-12)14(3)20-19(24)21-17-9-8-15(22-4)11-18(17)23-5/h6-11,14H,1-5H3,(H2,20,21,24)/t14-/m0/s1.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea?
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea has a molecular weight of 344.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea is sourced from PubChem (CID 2207743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).