1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea

C18H28N2O2S — CID 8786326

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
SMILESCOc1ccc(CN(C)C(=S)N[C@H]2CCCC[C@H]2C)c(OC)c1
InChIInChI=1S/C18H28N2O2S/c1-13-7-5-6-8-16(13)19-18(23)20(2)12-14-9-10-15(21-3)11-17(14)22-4/h9-11,13,16H,5-8,12H2,1-4H3,(H,19,23)/t13-,16+/m1/s1
InChIKeyCWUZXTGINWHVPU-CJNGLKHVSA-N
MW336.50 g/mol
LogP3.59
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea

1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea (PubChem CID 8786326) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
PubChem CID8786326
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
SMILESCOc1ccc(CN(C)C(=S)N[C@H]2CCCC[C@H]2C)c(OC)c1
InChIInChI=1S/C18H28N2O2S/c1-13-7-5-6-8-16(13)19-18(23)20(2)12-14-9-10-15(21-3)11-17(14)22-4/h9-11,13,16H,5-8,12H2,1-4H3,(H,19,23)/t13-,16+/m1/s1
InChIKeyCWUZXTGINWHVPU-CJNGLKHVSA-N
XLogP3.59
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
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)methyl]-1-methyl-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 9098010
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
CID 47005760
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
1-[(2-chlorophenyl)methyl]-1-methyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8786087
1-[(2-chlorophenyl)methyl]-1-methyl-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8786085
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea
CID 7944898
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43082086
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(3-methylsulfanylpropyl)thiourea
CID 7944903
N'-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)oxamide
CID 3220604
3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 112790503
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 9122126

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea (CID 8786326) is 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea is COc1ccc(CN(C)C(=S)N[C@H]2CCCC[C@H]2C)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
The InChIKey is CWUZXTGINWHVPU-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-13-7-5-6-8-16(13)19-18(23)20(2)12-14-9-10-15(21-3)11-17(14)22-4/h9-11,13,16H,5-8,12H2,1-4H3,(H,19,23)/t13-,16+/m1/s1.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea has a molecular weight of 336.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea is sourced from PubChem (CID 8786326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).