N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide

C10H10BrCl2N3OS — CID 175147681

IUPACN-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide
SMILESS=C(Nc1c(Cl)cc(Br)nc1Cl)N1CCOCC1
InChIInChI=1S/C10H10BrCl2N3OS/c11-7-5-6(12)8(9(13)14-7)15-10(18)16-1-3-17-4-2-16/h5H,1-4H2,(H,15,18)
InChIKeyIGIJKCGTFOMOSR-UHFFFAOYSA-N
MW371.09 g/mol
LogP3.18
Rot. Bonds1

About N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide

N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide (PubChem CID 175147681) has the molecular formula C10H10BrCl2N3OS and a molecular weight of 371.09 g/mol. Its IUPAC name is N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide
PubChem CID175147681
Molecular FormulaC10H10BrCl2N3OS
Molecular Weight371.09 g/mol
Exact Mass368.91
IUPAC NameN-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide
SMILESS=C(Nc1c(Cl)cc(Br)nc1Cl)N1CCOCC1
InChIInChI=1S/C10H10BrCl2N3OS/c11-7-5-6(12)8(9(13)14-7)15-10(18)16-1-3-17-4-2-16/h5H,1-4H2,(H,15,18)
InChIKeyIGIJKCGTFOMOSR-UHFFFAOYSA-N
XLogP3.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.09
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide?
The IUPAC name of N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide (CID 175147681) is N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide is S=C(Nc1c(Cl)cc(Br)nc1Cl)N1CCOCC1.
What is the InChIKey of N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide?
The InChIKey is IGIJKCGTFOMOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2N3OS/c11-7-5-6(12)8(9(13)14-7)15-10(18)16-1-3-17-4-2-16/h5H,1-4H2,(H,15,18).
What are the key properties of N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide?
N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide has a molecular weight of 371.09 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,4-dichloro-3-pyridinyl)morpholine-4-carbothioamide is sourced from PubChem (CID 175147681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).