1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea

C17H23F2N3OS — CID 2363194

IUPAC1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea
SMILESC/C=C(\NNC(=S)NC1CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H23F2N3OS/c1-2-15(12-8-10-14(11-9-12)23-16(18)19)21-22-17(24)20-13-6-4-3-5-7-13/h2,8-11,13,16,21H,3-7H2,1H3,(H2,20,22,24)/b15-2-
InChIKeyLOLCWGBWNRYUBV-LXOGZNDWSA-N
MW355.45 g/mol
LogP3.95
Rot. Bonds6

About 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea

1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea (PubChem CID 2363194) has the molecular formula C17H23F2N3OS and a molecular weight of 355.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea
PubChem CID2363194
Molecular FormulaC17H23F2N3OS
Molecular Weight355.45 g/mol
Exact Mass355.15
IUPAC Name1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea
SMILESC/C=C(\NNC(=S)NC1CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H23F2N3OS/c1-2-15(12-8-10-14(11-9-12)23-16(18)19)21-22-17(24)20-13-6-4-3-5-7-13/h2,8-11,13,16,21H,3-7H2,1H3,(H2,20,22,24)/b15-2-
InChIKeyLOLCWGBWNRYUBV-LXOGZNDWSA-N
XLogP3.95
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]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-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea
CID 9283611
1-[1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]-3-cyclohexylthiourea
CID 5062296
(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7962251
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-4-ethoxybenzenesulfonohydrazide
CID 2094357
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 4876666
N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-2-(2-methoxyphenoxy)acetohydrazide
CID 2379796
1-cyclopropyl-3-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]thiourea
CID 9282980
N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 47010791
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 4937464
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 9283623

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea (CID 2363194) is 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea is C/C=C(\NNC(=S)NC1CCCCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea?
The InChIKey is LOLCWGBWNRYUBV-LXOGZNDWSA-N. The full InChI is InChI=1S/C17H23F2N3OS/c1-2-15(12-8-10-14(11-9-12)23-16(18)19)21-22-17(24)20-13-6-4-3-5-7-13/h2,8-11,13,16,21H,3-7H2,1H3,(H2,20,22,24)/b15-2-.
What are the key properties of 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea?
1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea has a molecular weight of 355.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea is sourced from PubChem (CID 2363194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).