1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea

C18H20F2N2O2S — CID 8682630

IUPAC1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea
SMILESCOc1cc(CN(C)C(=S)Nc2ccccc2C)ccc1OC(F)F
InChIInChI=1S/C18H20F2N2O2S/c1-12-6-4-5-7-14(12)21-18(25)22(2)11-13-8-9-15(24-17(19)20)16(10-13)23-3/h4-10,17H,11H2,1-3H3,(H,21,25)
InChIKeyFZWJPUTUPRTHJH-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.43
Rot. Bonds6

About 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea (PubChem CID 8682630) has the molecular formula C18H20F2N2O2S and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea
PubChem CID8682630
Molecular FormulaC18H20F2N2O2S
Molecular Weight366.43 g/mol
Exact Mass366.12
IUPAC Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea
SMILESCOc1cc(CN(C)C(=S)Nc2ccccc2C)ccc1OC(F)F
InChIInChI=1S/C18H20F2N2O2S/c1-12-6-4-5-7-14(12)21-18(25)22(2)11-13-8-9-15(24-17(19)20)16(10-13)23-3/h4-10,17H,11H2,1-3H3,(H,21,25)
InChIKeyFZWJPUTUPRTHJH-UHFFFAOYSA-N
XLogP4.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.43
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

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
3-(2,3-dimethylphenyl)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylthiourea
CID 8680216
1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea
CID 8565188
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46632198
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46429061
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
[2-(2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2607046
(1S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119817
(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119815
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide
CID 9017937
N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 16555115

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea (CID 8682630) is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea is COc1cc(CN(C)C(=S)Nc2ccccc2C)ccc1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea?
The InChIKey is FZWJPUTUPRTHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2S/c1-12-6-4-5-7-14(12)21-18(25)22(2)11-13-8-9-15(24-17(19)20)16(10-13)23-3/h4-10,17H,11H2,1-3H3,(H,21,25).
What are the key properties of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea?
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea has a molecular weight of 366.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 8682630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).