1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea

C15H14Cl2N2O2S — CID 19676032

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea
SMILESCOc1cc(OC)c(NC(=S)Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2S/c1-20-13-8-14(21-2)12(7-11(13)17)19-15(22)18-10-5-3-9(16)4-6-10/h3-8H,1-2H3,(H2,18,19,22)
InChIKeyKPPKODYJZPKKID-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.82
Rot. Bonds4

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea

1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea (PubChem CID 19676032) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea
PubChem CID19676032
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea
SMILESCOc1cc(OC)c(NC(=S)Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2S/c1-20-13-8-14(21-2)12(7-11(13)17)19-15(22)18-10-5-3-9(16)4-6-10/h3-8H,1-2H3,(H2,18,19,22)
InChIKeyKPPKODYJZPKKID-UHFFFAOYSA-N
XLogP4.82
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.82
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

N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
CID 3006462
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-2,5-difluorobenzamide
CID 15954730
1-(4-chloro-2,5-dimethoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 17300163
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-3-methoxybenzamide
CID 15954708
1-(3-acetylphenyl)-3-(5-chloro-2,4-dimethoxyphenyl)thiourea
CID 2206703
N-[5-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-pyridinyl]acetamide
CID 15954890
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-3-methylfuran-2-carboxamide
CID 57073332
1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489208
1-(5-chloro-2,4-dimethoxyphenyl)-3-cyclopropylthiourea
CID 7944268
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5197935
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-methoxy-5-methylphenyl]acetamide
CID 15954879
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 972689

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea (CID 19676032) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea is COc1cc(OC)c(NC(=S)Nc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea?
The InChIKey is KPPKODYJZPKKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c1-20-13-8-14(21-2)12(7-11(13)17)19-15(22)18-10-5-3-9(16)4-6-10/h3-8H,1-2H3,(H2,18,19,22).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea has a molecular weight of 357.26 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea is sourced from PubChem (CID 19676032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).