N-(2,4-difluorophenyl)morpholine-4-carbothioamide

C11H12F2N2OS — CID 4604894

IUPACN-(2,4-difluorophenyl)morpholine-4-carbothioamide
SMILESFc1ccc(NC(=S)N2CCOCC2)c(F)c1
InChIInChI=1S/C11H12F2N2OS/c12-8-1-2-10(9(13)7-8)14-11(17)15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,14,17)
InChIKeyNYPITPCQRZVHMH-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.99
Rot. Bonds1

About N-(2,4-difluorophenyl)morpholine-4-carbothioamide

N-(2,4-difluorophenyl)morpholine-4-carbothioamide (PubChem CID 4604894) has the molecular formula C11H12F2N2OS and a molecular weight of 258.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)morpholine-4-carbothioamide
PubChem CID4604894
Molecular FormulaC11H12F2N2OS
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC NameN-(2,4-difluorophenyl)morpholine-4-carbothioamide
SMILESFc1ccc(NC(=S)N2CCOCC2)c(F)c1
InChIInChI=1S/C11H12F2N2OS/c12-8-1-2-10(9(13)7-8)14-11(17)15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,14,17)
InChIKeyNYPITPCQRZVHMH-UHFFFAOYSA-N
XLogP1.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.99
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)azepane-1-carbothioamide
CID 19654117
N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 2957705
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
4-(3-chlorophenyl)-N-(2,4-difluorophenyl)piperazine-1-carbothioamide
CID 19654594
N-(2,4-difluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 2204665
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
N-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide
CID 2211175
N-(2-iodophenyl)morpholine-4-carbothioamide
CID 125475312
N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide
CID 79766971

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)morpholine-4-carbothioamide?
The IUPAC name of N-(2,4-difluorophenyl)morpholine-4-carbothioamide (CID 4604894) is N-(2,4-difluorophenyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2,4-difluorophenyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2,4-difluorophenyl)morpholine-4-carbothioamide is Fc1ccc(NC(=S)N2CCOCC2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)morpholine-4-carbothioamide?
The InChIKey is NYPITPCQRZVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2OS/c12-8-1-2-10(9(13)7-8)14-11(17)15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,14,17).
What are the key properties of N-(2,4-difluorophenyl)morpholine-4-carbothioamide?
N-(2,4-difluorophenyl)morpholine-4-carbothioamide has a molecular weight of 258.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)morpholine-4-carbothioamide is sourced from PubChem (CID 4604894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).