1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea

C14H19FN2S — CID 5053738

IUPAC1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea
SMILESCC1CCC(NC(=S)Nc2ccccc2F)CC1
InChIInChI=1S/C14H19FN2S/c1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15/h2-5,10-11H,6-9H2,1H3,(H2,16,17,18)
InChIKeyRYVXNNRRBYQLPE-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.69
Rot. Bonds2

About 1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea

1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea (PubChem CID 5053738) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea
PubChem CID5053738
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea
SMILESCC1CCC(NC(=S)Nc2ccccc2F)CC1
InChIInChI=1S/C14H19FN2S/c1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15/h2-5,10-11H,6-9H2,1H3,(H2,16,17,18)
InChIKeyRYVXNNRRBYQLPE-UHFFFAOYSA-N
XLogP3.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.69
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-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea
CID 114550499
1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea
CID 114550506
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
1-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]thiourea
CID 113219617
1-cyclooctyl-3-(2,6-difluorophenyl)thiourea
CID 100663552
1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea
CID 17249915
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 42970641
1-cyclopentyl-3-(2,3,4-trifluorophenyl)thiourea
CID 116507277
1-(5-bromo-2,4-difluorophenyl)-3-cyclopropylthiourea
CID 102846812
1-(2-tert-butylphenyl)-3-(2-fluorophenyl)thiourea
CID 4662222
1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea
CID 116510369

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea (CID 5053738) is 1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea is CC1CCC(NC(=S)Nc2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea?
The InChIKey is RYVXNNRRBYQLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15/h2-5,10-11H,6-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea?
1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea has a molecular weight of 266.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea is sourced from PubChem (CID 5053738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).