1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea

C16H25ClN4S — CID 17382313

IUPAC1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea
SMILESCCN1CCN(CCCNC(=S)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN4S/c1-2-20-10-12-21(13-11-20)9-3-8-18-16(22)19-15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3,(H2,18,19,22)
InChIKeyFMQYNHUXNJAQEJ-UHFFFAOYSA-N
MW340.92 g/mol
LogP2.65
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea

1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea (PubChem CID 17382313) has the molecular formula C16H25ClN4S and a molecular weight of 340.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea
PubChem CID17382313
Molecular FormulaC16H25ClN4S
Molecular Weight340.92 g/mol
Exact Mass340.15
IUPAC Name1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea
SMILESCCN1CCN(CCCNC(=S)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN4S/c1-2-20-10-12-21(13-11-20)9-3-8-18-16(22)19-15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3,(H2,18,19,22)
InChIKeyFMQYNHUXNJAQEJ-UHFFFAOYSA-N
XLogP2.65
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]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-[3-(azepan-1-yl)propyl]-3-(4-methylphenyl)thiourea
CID 94876840
ethyl 4-[3-(4-propylpiperazin-1-yl)propylcarbamothioylamino]benzoate
CID 5079820
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 3593529
1-(4-bromophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]thiourea
CID 100631402
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
1-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8564807
(E)-3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]prop-2-enamide
CID 110440061
1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 45489217
1-[2-(4-chlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669391
1-[4-(cyanomethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea
CID 100630399
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea (CID 17382313) is 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea is CCN1CCN(CCCNC(=S)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea?
The InChIKey is FMQYNHUXNJAQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4S/c1-2-20-10-12-21(13-11-20)9-3-8-18-16(22)19-15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3,(H2,18,19,22).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea?
1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea has a molecular weight of 340.92 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea is sourced from PubChem (CID 17382313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).