2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide

C15H21FN2OS — CID 63672687

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide
SMILESNC(=S)c1cc(F)ccc1N(CCO)C1CCCCC1
InChIInChI=1S/C15H21FN2OS/c16-11-6-7-14(13(10-11)15(17)20)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9H2,(H2,17,20)
InChIKeyUUTPIKZCMOTZCW-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.59
Rot. Bonds5

About 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide

2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide (PubChem CID 63672687) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide
PubChem CID63672687
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide
SMILESNC(=S)c1cc(F)ccc1N(CCO)C1CCCCC1
InChIInChI=1S/C15H21FN2OS/c16-11-6-7-14(13(10-11)15(17)20)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9H2,(H2,17,20)
InChIKeyUUTPIKZCMOTZCW-UHFFFAOYSA-N
XLogP2.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide 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

2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 63674892
2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
CID 54994152
2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668828
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
CID 102859536
4-[cyclohexyl(2-hydroxyethyl)amino]-2-methylbenzenecarbothioamide
CID 81277043
2-bromo-4-[cyclohexyl(2-hydroxyethyl)amino]benzenecarbothioamide
CID 107277590
ethyl 2-(2-carbamothioyl-N-cyclopropyl-4-fluoroanilino)acetate
CID 63672880
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929848
2-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]benzenecarbothioamide
CID 107278171
2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
CID 102859499
2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
CID 107932834

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide (CID 63672687) is 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide is NC(=S)c1cc(F)ccc1N(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide?
The InChIKey is UUTPIKZCMOTZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c16-11-6-7-14(13(10-11)15(17)20)18(8-9-19)12-4-2-1-3-5-12/h6-7,10,12,19H,1-5,8-9H2,(H2,17,20).
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide?
2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide has a molecular weight of 296.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide is sourced from PubChem (CID 63672687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).