1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea

C19H28N4OS — CID 47510342

IUPAC1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea
SMILESCN1CCN(C(=O)c2ccc(NC(=S)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H28N4OS/c1-22-11-13-23(14-12-22)18(24)15-7-9-17(10-8-15)21-19(25)20-16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3,(H2,20,21,25)
InChIKeyJHSSDVPTDMJJOD-UHFFFAOYSA-N
MW360.53 g/mol
LogP2.69
Rot. Bonds3

About 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea

1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea (PubChem CID 47510342) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea
PubChem CID47510342
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea
SMILESCN1CCN(C(=O)c2ccc(NC(=S)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H28N4OS/c1-22-11-13-23(14-12-22)18(24)15-7-9-17(10-8-15)21-19(25)20-16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3,(H2,20,21,25)
InChIKeyJHSSDVPTDMJJOD-UHFFFAOYSA-N
XLogP2.69
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]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

N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109044727
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide
CID 55651049
ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
4-(cyclohexylcarbamothioylamino)-N-(4-methoxyphenyl)benzamide
CID 8624627
1-(1-benzoylpiperidin-4-yl)-3-(4-phenoxyphenyl)thiourea
CID 92519825
2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 110609674
1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 4943688
1-(1-benzoylpiperidin-4-yl)-3-(3,4-dimethylphenyl)thiourea
CID 92519816
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 54786669

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea (CID 47510342) is 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea is CN1CCN(C(=O)c2ccc(NC(=S)NC3CCCCC3)cc2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea?
The InChIKey is JHSSDVPTDMJJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-22-11-13-23(14-12-22)18(24)15-7-9-17(10-8-15)21-19(25)20-16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3,(H2,20,21,25).
What are the key properties of 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea?
1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea has a molecular weight of 360.53 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea is sourced from PubChem (CID 47510342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).