(2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol

C19H19F2N2O2S+ — CID 40598309

IUPAC(2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
SMILESO[C@]1(c2ccccc2OC(F)F)C[N+]2=C(SCCC2)N1c1ccccc1
InChIInChI=1S/C19H19F2N2O2S/c20-17(21)25-16-10-5-4-9-15(16)19(24)13-22-11-6-12-26-18(22)23(19)14-7-2-1-3-8-14/h1-5,7-10,17,24H,6,11-13H2/q+1/t19-/m0/s1
InChIKeyZAJCMUDCMFEUJL-IBGZPJMESA-N
MW377.44 g/mol
LogP3.46
Rot. Bonds4

About (2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol

(2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol (PubChem CID 40598309) has the molecular formula C19H19F2N2O2S+ and a molecular weight of 377.44 g/mol. Its IUPAC name is (2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol.

Molecular Properties

Compound Name(2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
PubChem CID40598309
Molecular FormulaC19H19F2N2O2S+
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name(2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
SMILESO[C@]1(c2ccccc2OC(F)F)C[N+]2=C(SCCC2)N1c1ccccc1
InChIInChI=1S/C19H19F2N2O2S/c20-17(21)25-16-10-5-4-9-15(16)19(24)13-22-11-6-12-26-18(22)23(19)14-7-2-1-3-8-14/h1-5,7-10,17,24H,6,11-13H2/q+1/t19-/m0/s1
InChIKeyZAJCMUDCMFEUJL-IBGZPJMESA-N
XLogP3.46
TPSA35.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 21178837
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 980176
7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol
CID 3247858
(2S)-2-(4-fluorophenyl)-1-(2-methylphenyl)-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 2345228
1-(4-bromophenyl)-2-(4-methoxyphenyl)-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol bromide
CID 21178800
1-benzyl-2-(4-fluorophenyl)-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 4691141
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-ol
CID 117289125
(2S)-1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 2342114
2-(4-fluorophenyl)-1-phenyl-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol bromide
CID 21176775
3-tert-butyl-1-phenyl-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol
CID 5206714
2-[4-(difluoromethoxy)phenyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 21176667
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 95732347

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol?
The IUPAC name of (2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol (CID 40598309) is (2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol.
What is the SMILES notation for (2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol?
The canonical SMILES for (2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol is O[C@]1(c2ccccc2OC(F)F)C[N+]2=C(SCCC2)N1c1ccccc1.
What is the InChIKey of (2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol?
The InChIKey is ZAJCMUDCMFEUJL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19F2N2O2S/c20-17(21)25-16-10-5-4-9-15(16)19(24)13-22-11-6-12-26-18(22)23(19)14-7-2-1-3-8-14/h1-5,7-10,17,24H,6,11-13H2/q+1/t19-/m0/s1.
What are the key properties of (2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol?
(2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol has a molecular weight of 377.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(difluoromethoxy)phenyl]-1-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol is sourced from PubChem (CID 40598309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).