1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea

C16H22F2N2OS — CID 9283611

IUPAC1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea
SMILESFC(F)Oc1ccc(CCNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C16H22F2N2OS/c17-15(18)21-14-8-6-12(7-9-14)10-11-19-16(22)20-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11H2,(H2,19,20,22)
InChIKeyHEMNPFQCYQZAAR-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.63
Rot. Bonds6

About 1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea

1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea (PubChem CID 9283611) has the molecular formula C16H22F2N2OS and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea
PubChem CID9283611
Molecular FormulaC16H22F2N2OS
Molecular Weight328.43 g/mol
Exact Mass328.14
IUPAC Name1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea
SMILESFC(F)Oc1ccc(CCNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C16H22F2N2OS/c17-15(18)21-14-8-6-12(7-9-14)10-11-19-16(22)20-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11H2,(H2,19,20,22)
InChIKeyHEMNPFQCYQZAAR-UHFFFAOYSA-N
XLogP3.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 9283623
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
1-cyclohexyl-3-[[(Z)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]amino]thiourea
CID 2363194
N-[1-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 18137229
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 9283612
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55740254
4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 18146757
(3S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 81133526
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51241320
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 47010791

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea (CID 9283611) is 1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea is FC(F)Oc1ccc(CCNC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea?
The InChIKey is HEMNPFQCYQZAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2OS/c17-15(18)21-14-8-6-12(7-9-14)10-11-19-16(22)20-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11H2,(H2,19,20,22).
What are the key properties of 1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea?
1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea has a molecular weight of 328.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[4-(difluoromethoxy)phenyl]ethyl]thiourea is sourced from PubChem (CID 9283611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).