1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea

C14H19Cl2N3S — CID 4139413

IUPAC1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea
SMILESCC1CCCC(C)N1NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3S/c1-9-4-3-5-10(2)19(9)18-14(20)17-13-7-6-11(15)8-12(13)16/h6-10H,3-5H2,1-2H3,(H2,17,18,20)
InChIKeyYKVKJYGGCONHPB-UHFFFAOYSA-N
MW332.30 g/mol
LogP4.46
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea

1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea (PubChem CID 4139413) has the molecular formula C14H19Cl2N3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea
PubChem CID4139413
Molecular FormulaC14H19Cl2N3S
Molecular Weight332.30 g/mol
Exact Mass331.07
IUPAC Name1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea
SMILESCC1CCCC(C)N1NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3S/c1-9-4-3-5-10(2)19(9)18-14(20)17-13-7-6-11(15)8-12(13)16/h6-10H,3-5H2,1-2H3,(H2,17,18,20)
InChIKeyYKVKJYGGCONHPB-UHFFFAOYSA-N
XLogP4.46
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 54.46
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-(2-methylcyclohexyl)thiourea
CID 4020555
1-(2,4-dichlorophenyl)-3-methylthiourea
CID 3310564
1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 27024560
N-(2,5-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 19654001
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(3-fluoro-4-methylphenyl)thiourea
CID 11928035
N-(4-bromo-2-chlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 19654017
2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 54786307
1-(4-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea
CID 4178428
5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydroxybenzamide
CID 115279907
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-methylthiourea
CID 799649
1-(2,4-dichlorophenyl)-3-propylthiourea
CID 2281624
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea (CID 4139413) is 1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea is CC1CCCC(C)N1NC(=S)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea?
The InChIKey is YKVKJYGGCONHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3S/c1-9-4-3-5-10(2)19(9)18-14(20)17-13-7-6-11(15)8-12(13)16/h6-10H,3-5H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea?
1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea has a molecular weight of 332.30 g/mol, XLogP of 4.46, 2 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-(2,6-dimethylpiperidin-1-yl)thiourea is sourced from PubChem (CID 4139413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).