1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea

C20H26N4OS — CID 12902608

IUPAC1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea
SMILESO=c1ccc(-c2ccccc2)nn1CCCNC(=S)NC1CCCCC1
InChIInChI=1S/C20H26N4OS/c25-19-13-12-18(16-8-3-1-4-9-16)23-24(19)15-7-14-21-20(26)22-17-10-5-2-6-11-17/h1,3-4,8-9,12-13,17H,2,5-7,10-11,14-15H2,(H2,21,22,26)
InChIKeySWFUOPACCVAQEA-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.10
Rot. Bonds6

About 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea

1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea (PubChem CID 12902608) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea
PubChem CID12902608
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea
SMILESO=c1ccc(-c2ccccc2)nn1CCCNC(=S)NC1CCCCC1
InChIInChI=1S/C20H26N4OS/c25-19-13-12-18(16-8-3-1-4-9-16)23-24(19)15-7-14-21-20(26)22-17-10-5-2-6-11-17/h1,3-4,8-9,12-13,17H,2,5-7,10-11,14-15H2,(H2,21,22,26)
InChIKeySWFUOPACCVAQEA-UHFFFAOYSA-N
XLogP3.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-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-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
CID 13412562
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
CID 71317796
1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea
CID 71317801
1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea
CID 892266
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3242957
N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885182
N-cycloheptyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885237
2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
CID 13103478
3-[5-(6-oxo-3-phenylpyridazin-1-yl)pentyl]-1,1-diphenylurea
CID 13412588
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 134127682
N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884409

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea (CID 12902608) is 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea is O=c1ccc(-c2ccccc2)nn1CCCNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea?
The InChIKey is SWFUOPACCVAQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-19-13-12-18(16-8-3-1-4-9-16)23-24(19)15-7-14-21-20(26)22-17-10-5-2-6-11-17/h1,3-4,8-9,12-13,17H,2,5-7,10-11,14-15H2,(H2,21,22,26).
What are the key properties of 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea?
1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea has a molecular weight of 370.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea is sourced from PubChem (CID 12902608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).