1-cyclohexyl-3-(3-fluorophenyl)thiourea

C13H17FN2S — CID 8657557

IUPAC1-cyclohexyl-3-(3-fluorophenyl)thiourea
SMILESFc1cccc(NC(=S)NC2CCCCC2)c1
InChIInChI=1S/C13H17FN2S/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,15,16,17)
InChIKeyAIZINUKBQZGHGX-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.44
Rot. Bonds2

About 1-cyclohexyl-3-(3-fluorophenyl)thiourea

1-cyclohexyl-3-(3-fluorophenyl)thiourea (PubChem CID 8657557) has the molecular formula C13H17FN2S and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-fluorophenyl)thiourea
PubChem CID8657557
Molecular FormulaC13H17FN2S
Molecular Weight252.36 g/mol
Exact Mass252.11
IUPAC Name1-cyclohexyl-3-(3-fluorophenyl)thiourea
SMILESFc1cccc(NC(=S)NC2CCCCC2)c1
InChIInChI=1S/C13H17FN2S/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,15,16,17)
InChIKeyAIZINUKBQZGHGX-UHFFFAOYSA-N
XLogP3.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
1-cyclohexyl-3-(3-phenylphenyl)thiourea
CID 57392119
1-cycloheptyl-3-phenylthiourea
CID 4085620
1-cyclopentyl-3-(3-methylsulfanylphenyl)thiourea
CID 116507255
1-(3-chloro-4-fluorophenyl)-3-cycloheptylthiourea
CID 8669396
1-(4-chloro-3-fluorophenyl)-3-cyclohexylthiourea
CID 115577568
1-cyclohexyl-3-(3,4,5-trifluorophenyl)thiourea
CID 115645245
1-cyclooctyl-3-(2,6-difluorophenyl)thiourea
CID 100663552
1-cyclohexyl-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 3461195
1-(3-chloro-4-fluorophenyl)-3-cyclopentylthiourea
CID 2105676
1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075987
2-[(1S,2S)-2-aminocyclohexyl]-1-cycloheptyl-3-(3-fluorophenyl)guanidine
CID 134091911

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-fluorophenyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(3-fluorophenyl)thiourea (CID 8657557) is 1-cyclohexyl-3-(3-fluorophenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(3-fluorophenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(3-fluorophenyl)thiourea is Fc1cccc(NC(=S)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-(3-fluorophenyl)thiourea?
The InChIKey is AIZINUKBQZGHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2S/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(3-fluorophenyl)thiourea?
1-cyclohexyl-3-(3-fluorophenyl)thiourea has a molecular weight of 252.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-fluorophenyl)thiourea is sourced from PubChem (CID 8657557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).