N-(2-fluorophenyl)piperazine-1-carbothioamide

C11H14FN3S — CID 82292486

IUPACN-(2-fluorophenyl)piperazine-1-carbothioamide
SMILESFc1ccccc1NC(=S)N1CCNCC1
InChIInChI=1S/C11H14FN3S/c12-9-3-1-2-4-10(9)14-11(16)15-7-5-13-6-8-15/h1-4,13H,5-8H2,(H,14,16)
InChIKeyWZFOIKFOMKRSCV-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.43
Rot. Bonds1

About N-(2-fluorophenyl)piperazine-1-carbothioamide

N-(2-fluorophenyl)piperazine-1-carbothioamide (PubChem CID 82292486) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)piperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)piperazine-1-carbothioamide
PubChem CID82292486
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC NameN-(2-fluorophenyl)piperazine-1-carbothioamide
SMILESFc1ccccc1NC(=S)N1CCNCC1
InChIInChI=1S/C11H14FN3S/c12-9-3-1-2-4-10(9)14-11(16)15-7-5-13-6-8-15/h1-4,13H,5-8H2,(H,14,16)
InChIKeyWZFOIKFOMKRSCV-UHFFFAOYSA-N
XLogP1.43
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
N-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide
CID 8745175
2-(1,4-diazepan-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 43327583
N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 161429072
N-(2-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide
CID 8564944
(1S,5R)-N-(2-fluorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 7962412
1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
CID 8624605
1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69452265
N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbothioamide
CID 9284434
N-(2-chlorophenyl)-3-oxopiperazine-1-carbothioamide
CID 4967371
N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 91552167
4-[bis(4-fluorophenyl)methyl]-N-(2-chlorophenyl)piperazine-1-carbothioamide
CID 17312784

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)piperazine-1-carbothioamide?
The IUPAC name of N-(2-fluorophenyl)piperazine-1-carbothioamide (CID 82292486) is N-(2-fluorophenyl)piperazine-1-carbothioamide.
What is the SMILES notation for N-(2-fluorophenyl)piperazine-1-carbothioamide?
The canonical SMILES for N-(2-fluorophenyl)piperazine-1-carbothioamide is Fc1ccccc1NC(=S)N1CCNCC1.
What is the InChIKey of N-(2-fluorophenyl)piperazine-1-carbothioamide?
The InChIKey is WZFOIKFOMKRSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c12-9-3-1-2-4-10(9)14-11(16)15-7-5-13-6-8-15/h1-4,13H,5-8H2,(H,14,16).
What are the key properties of N-(2-fluorophenyl)piperazine-1-carbothioamide?
N-(2-fluorophenyl)piperazine-1-carbothioamide has a molecular weight of 239.32 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)piperazine-1-carbothioamide is sourced from PubChem (CID 82292486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).