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

C19H24N2O2S — CID 19675164

IUPAC1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea
SMILESCOc1ccc(NC(=S)NC(C)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C19H24N2O2S/c1-12-6-7-13(2)16(10-12)14(3)20-19(24)21-15-8-9-17(22-4)18(11-15)23-5/h6-11,14H,1-5H3,(H2,20,21,24)
InChIKeyVWFVCZYTMLFJAX-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.37
Rot. Bonds5

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

1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea (PubChem CID 19675164) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea
PubChem CID19675164
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea
SMILESCOc1ccc(NC(=S)NC(C)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C19H24N2O2S/c1-12-6-7-13(2)16(10-12)14(3)20-19(24)21-15-8-9-17(22-4)18(11-15)23-5/h6-11,14H,1-5H3,(H2,20,21,24)
InChIKeyVWFVCZYTMLFJAX-UHFFFAOYSA-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-(3,4-dimethoxyphenyl)-3-[(1R)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 978145
1-[1-(2,5-dimethylphenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 19675144
1-(4-bromo-3-methylphenyl)-3-[(1R)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 100670113
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 2207743
1-(3,4-dimethoxyphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675491
1-(3,4-dimethoxyphenyl)-3-[(Z)-(2,5-dimethylphenyl)methylideneamino]thiourea
CID 7965224
1-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(4-nitrophenyl)thiourea
CID 7470087
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 100670154
1-[4-(cyanomethyl)phenyl]-3-[1-(2,5-dimethylphenyl)ethyl]thiourea
CID 133154409
1-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)thiourea
CID 100743053
1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 100670837
1-ethyl-3-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]thiourea
CID 9096213

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea (CID 19675164) is 1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea is COc1ccc(NC(=S)NC(C)c2cc(C)ccc2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea?
The InChIKey is VWFVCZYTMLFJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12-6-7-13(2)16(10-12)14(3)20-19(24)21-15-8-9-17(22-4)18(11-15)23-5/h6-11,14H,1-5H3,(H2,20,21,24).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea?
1-(3,4-dimethoxyphenyl)-3-[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-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).