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

C13H19Cl2N3S — CID 4572948

IUPAC1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea
SMILESCCN(CC)CCNC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3S/c1-3-18(4-2)8-7-16-13(19)17-12-6-5-10(14)9-11(12)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,19)
InChIKeyODCZEBHZTBBNDL-UHFFFAOYSA-N
MW320.29 g/mol
LogP3.62
Rot. Bonds6

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

1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea (PubChem CID 4572948) has the molecular formula C13H19Cl2N3S and a molecular weight of 320.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea
PubChem CID4572948
Molecular FormulaC13H19Cl2N3S
Molecular Weight320.29 g/mol
Exact Mass319.07
IUPAC Name1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea
SMILESCCN(CC)CCNC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3S/c1-3-18(4-2)8-7-16-13(19)17-12-6-5-10(14)9-11(12)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,19)
InChIKeyODCZEBHZTBBNDL-UHFFFAOYSA-N
XLogP3.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-3-propylthiourea
CID 2281624
1-(2,4-dichlorophenyl)-3-octylthiourea
CID 17262672
1-(3-chloro-2-methylphenyl)-3-[2-(diethylamino)ethyl]thiourea
CID 8656190
1-(2,4-dichlorophenyl)-3-methylthiourea
CID 3310564
N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 57223058
1-[2-chloro-4-(propylcarbamothioylamino)phenyl]-3-propylthiourea
CID 8668815
1-(5-chloro-2-methylphenyl)-3-propylthiourea
CID 6992117
1-(4-bromo-2-chlorophenyl)-3-[(2,4-dichlorophenyl)methyl]thiourea
CID 19649605
3-(2,4-dichlorophenyl)-1-[(2,4-dichlorophenyl)carbamothioylamino]-1-methylthiourea
CID 2370185
1-[2-[bis[2-[(3-chlorophenyl)carbamothioylamino]ethyl]amino]ethyl]-3-(3-chlorophenyl)thiourea
CID 102342442
1-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,4-dichlorophenyl)thiourea
CID 19572034
1-(2,5-dichlorophenyl)-3-heptylthiourea
CID 19650844

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea (CID 4572948) is 1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea is CCN(CC)CCNC(=S)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea?
The InChIKey is ODCZEBHZTBBNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3S/c1-3-18(4-2)8-7-16-13(19)17-12-6-5-10(14)9-11(12)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea?
1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea has a molecular weight of 320.29 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea is sourced from PubChem (CID 4572948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).