1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea

C14H19FN2S — CID 116510369

IUPAC1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea
SMILESCc1cccc(F)c1NC(=S)NC1CCCCC1
InChIInChI=1S/C14H19FN2S/c1-10-6-5-9-12(15)13(10)17-14(18)16-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H2,16,17,18)
InChIKeyGVGCYGGWXIWHPW-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.75
Rot. Bonds2

About 1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea

1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea (PubChem CID 116510369) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea
PubChem CID116510369
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea
SMILESCc1cccc(F)c1NC(=S)NC1CCCCC1
InChIInChI=1S/C14H19FN2S/c1-10-6-5-9-12(15)13(10)17-14(18)16-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H2,16,17,18)
InChIKeyGVGCYGGWXIWHPW-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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-cyclooctyl-3-(2,6-difluorophenyl)thiourea
CID 100663552
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea
CID 116509252
1-cyclohexyl-3-(2,6-dibromophenyl)thiourea
CID 107598629
1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea
CID 124886303
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
1-(3-chloro-2-methylphenyl)-3-cyclododecylthiourea
CID 2730972
N-(cyclohexylcarbamothioyl)-2-fluorobenzamide
CID 4950383

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea (CID 116510369) is 1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea is Cc1cccc(F)c1NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea?
The InChIKey is GVGCYGGWXIWHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-10-6-5-9-12(15)13(10)17-14(18)16-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea?
1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea has a molecular weight of 266.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea is sourced from PubChem (CID 116510369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).