N-(2-fluorophenyl)morpholine-4-carbothioamide

C11H13FN2OS — CID 709147

IUPACN-(2-fluorophenyl)morpholine-4-carbothioamide
SMILESFc1ccccc1NC(=S)N1CCOCC1
InChIInChI=1S/C11H13FN2OS/c12-9-3-1-2-4-10(9)13-11(16)14-5-7-15-8-6-14/h1-4H,5-8H2,(H,13,16)
InChIKeyPVNHYPWCCYSCOW-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.85
Rot. Bonds1

About N-(2-fluorophenyl)morpholine-4-carbothioamide

N-(2-fluorophenyl)morpholine-4-carbothioamide (PubChem CID 709147) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)morpholine-4-carbothioamide
PubChem CID709147
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC NameN-(2-fluorophenyl)morpholine-4-carbothioamide
SMILESFc1ccccc1NC(=S)N1CCOCC1
InChIInChI=1S/C11H13FN2OS/c12-9-3-1-2-4-10(9)13-11(16)14-5-7-15-8-6-14/h1-4H,5-8H2,(H,13,16)
InChIKeyPVNHYPWCCYSCOW-UHFFFAOYSA-N
XLogP1.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)morpholine-4-carbothioamide
CID 4604894
N-(2-iodophenyl)morpholine-4-carbothioamide
CID 125475312
N-(2-fluorophenyl)piperazine-1-carbothioamide
CID 82292486
N-phenylmorpholine-4-carbothioamide
CID 139054920
N-(2-ethoxyphenyl)morpholine-4-carbothioamide
CID 3863223
1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea
CID 8625478
1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea
CID 9468842
N-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide
CID 8745175
3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530785
N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbothioamide
CID 9284434
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 59738066

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)morpholine-4-carbothioamide?
The IUPAC name of N-(2-fluorophenyl)morpholine-4-carbothioamide (CID 709147) is N-(2-fluorophenyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2-fluorophenyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2-fluorophenyl)morpholine-4-carbothioamide is Fc1ccccc1NC(=S)N1CCOCC1.
What is the InChIKey of N-(2-fluorophenyl)morpholine-4-carbothioamide?
The InChIKey is PVNHYPWCCYSCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-9-3-1-2-4-10(9)13-11(16)14-5-7-15-8-6-14/h1-4H,5-8H2,(H,13,16).
What are the key properties of N-(2-fluorophenyl)morpholine-4-carbothioamide?
N-(2-fluorophenyl)morpholine-4-carbothioamide has a molecular weight of 240.30 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)morpholine-4-carbothioamide is sourced from PubChem (CID 709147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).