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

C17H18Cl2N2O2S — CID 3672215

IUPAC1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea
SMILESCOc1cccc(CCNC(=S)Nc2ccc(Cl)c(Cl)c2)c1OC
InChIInChI=1S/C17H18Cl2N2O2S/c1-22-15-5-3-4-11(16(15)23-2)8-9-20-17(24)21-12-6-7-13(18)14(19)10-12/h3-7,10H,8-9H2,1-2H3,(H2,20,21,24)
InChIKeyDJTZCWGJHGFYQB-UHFFFAOYSA-N
MW385.32 g/mol
LogP4.54
Rot. Bonds6

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

1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea (PubChem CID 3672215) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea
PubChem CID3672215
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea
SMILESCOc1cccc(CCNC(=S)Nc2ccc(Cl)c(Cl)c2)c1OC
InChIInChI=1S/C17H18Cl2N2O2S/c1-22-15-5-3-4-11(16(15)23-2)8-9-20-17(24)21-12-6-7-13(18)14(19)10-12/h3-7,10H,8-9H2,1-2H3,(H2,20,21,24)
InChIKeyDJTZCWGJHGFYQB-UHFFFAOYSA-N
XLogP4.54
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 54.54
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-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678008
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)thiourea
CID 19649987
1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea
CID 3721169
1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 17298438
1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 970948
1-[2-(2,4-dichlorophenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 8615071
1-(3,4-dimethoxyphenyl)-3-(3-naphthalen-1-ylpropyl)thiourea
CID 100757098
1-(3-chloro-2-pyridinyl)-3-[2-(2,6-dimethoxyphenyl)ethyl]thiourea
CID 19703713
N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
CID 9404697
1-(4-chlorophenyl)-3-[3-(2-methoxyphenyl)propyl]thiourea
CID 100674620
1-[3-(2-chlorophenyl)propyl]-3-(3-methoxyphenyl)thiourea
CID 100671376
1-[2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)thiourea
CID 19649684

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea (CID 3672215) is 1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea is COc1cccc(CCNC(=S)Nc2ccc(Cl)c(Cl)c2)c1OC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea?
The InChIKey is DJTZCWGJHGFYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c1-22-15-5-3-4-11(16(15)23-2)8-9-20-17(24)21-12-6-7-13(18)14(19)10-12/h3-7,10H,8-9H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea?
1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea has a molecular weight of 385.32 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-(2,3-dimethoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 3672215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).