1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea

C13H11Cl3N4S — CID 19704024

IUPAC1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea
SMILESS=C(NCCc1c(Cl)cccc1Cl)Nc1nccnc1Cl
InChIInChI=1S/C13H11Cl3N4S/c14-9-2-1-3-10(15)8(9)4-5-19-13(21)20-12-11(16)17-6-7-18-12/h1-3,6-7H,4-5H2,(H2,18,19,20,21)
InChIKeyWIYPXGBAJYMLKH-UHFFFAOYSA-N
MW361.69 g/mol
LogP3.97
Rot. Bonds4

About 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea

1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea (PubChem CID 19704024) has the molecular formula C13H11Cl3N4S and a molecular weight of 361.69 g/mol. Its IUPAC name is 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea
PubChem CID19704024
Molecular FormulaC13H11Cl3N4S
Molecular Weight361.69 g/mol
Exact Mass359.98
IUPAC Name1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea
SMILESS=C(NCCc1c(Cl)cccc1Cl)Nc1nccnc1Cl
InChIInChI=1S/C13H11Cl3N4S/c14-9-2-1-3-10(15)8(9)4-5-19-13(21)20-12-11(16)17-6-7-18-12/h1-3,6-7H,4-5H2,(H2,18,19,20,21)
InChIKeyWIYPXGBAJYMLKH-UHFFFAOYSA-N
XLogP3.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.69
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-(3-chloropyrazin-2-yl)thiourea
CID 19704090
1-[2-(2,6-dichlorophenyl)ethyl]-3-[3-(trifluoromethyl)-2-pyridinyl]thiourea
CID 19703483
1-(3-chloropyrazin-2-yl)-3-[2-(2-methylphenyl)ethyl]thiourea
CID 19703624
1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)propyl]thiourea
CID 139623226
1-(3-chloro-2-pyridinyl)-3-[2-(2,6-dimethoxyphenyl)ethyl]thiourea
CID 19703713
1-(3-chloropyrazin-2-yl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 19703751
1-(3-chloro-2-pyridinyl)-3-[2-(2,3,4-trifluorophenyl)ethyl]thiourea
CID 22923258
1-(3-methyl-2-pyridinyl)-3-[2-(2,3,5-trichlorophenyl)ethyl]thiourea
CID 19704195
1-(2-chloro-6-methylphenyl)-3-(2-pyridin-2-ylethyl)thiourea
CID 2747452
1-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-3-pyridin-4-ylthiourea
CID 100605201
1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea
CID 100607030
1-(4-chloropyridazin-3-yl)-3-[2-(2,6-dichlorophenyl)propyl]thiourea
CID 139623251

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea?
The IUPAC name of 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea (CID 19704024) is 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea.
What is the SMILES notation for 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea?
The canonical SMILES for 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea is S=C(NCCc1c(Cl)cccc1Cl)Nc1nccnc1Cl.
What is the InChIKey of 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea?
The InChIKey is WIYPXGBAJYMLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N4S/c14-9-2-1-3-10(15)8(9)4-5-19-13(21)20-12-11(16)17-6-7-18-12/h1-3,6-7H,4-5H2,(H2,18,19,20,21).
What are the key properties of 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea?
1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea has a molecular weight of 361.69 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyrazin-2-yl)-3-[2-(2,6-dichlorophenyl)ethyl]thiourea is sourced from PubChem (CID 19704024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).