1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea

C18H22N2O2S — CID 19649928

IUPAC1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(CCNC(=S)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H22N2O2S/c1-13-4-9-17(22-3)16(12-13)20-18(23)19-11-10-14-5-7-15(21-2)8-6-14/h4-9,12H,10-11H2,1-3H3,(H2,19,20,23)
InChIKeySEVRWNSYMPVNAG-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.54
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea

1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea (PubChem CID 19649928) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
PubChem CID19649928
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(CCNC(=S)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H22N2O2S/c1-13-4-9-17(22-3)16(12-13)20-18(23)19-11-10-14-5-7-15(21-2)8-6-14/h4-9,12H,10-11H2,1-3H3,(H2,19,20,23)
InChIKeySEVRWNSYMPVNAG-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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-(2-methoxy-5-methylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3433038
1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 797368
1-(2-methoxy-5-methylphenyl)-3-propylthiourea
CID 8627484
1-butyl-3-(2-methoxy-5-methylphenyl)thiourea
CID 8627468
1-(2-methoxy-5-methylphenyl)-3-(4-phenylbutyl)thiourea
CID 19650169
1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea
CID 17272233
(Z)-2-cyano-3-(2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108838867
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-(2-methoxy-5-methylphenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 6712826
N'-(2-chloro-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 121478703
methyl 3-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-4-methylbenzoate
CID 92512411

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea (CID 19649928) is 1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea is COc1ccc(CCNC(=S)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea?
The InChIKey is SEVRWNSYMPVNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-4-9-17(22-3)16(12-13)20-18(23)19-11-10-14-5-7-15(21-2)8-6-14/h4-9,12H,10-11H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea?
1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea has a molecular weight of 330.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 19649928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).