(6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione

C18H19F4N3OS — CID 139293955

IUPAC(6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
SMILESFc1cc(F)c(F)c([C@H]2Cc3c(CCN4CCOCC4)[nH]c(=S)n3C2)c1F
InChIInChI=1S/C18H19F4N3OS/c19-11-8-12(20)17(22)15(16(11)21)10-7-14-13(23-18(27)25(14)9-10)1-2-24-3-5-26-6-4-24/h8,10H,1-7,9H2,(H,23,27)/t10-/m0/s1
InChIKeyRDYVPIMMCOSBPO-JTQLQIEISA-N
MW401.43 g/mol
LogP3.32
Rot. Bonds4

About (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione

(6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione (PubChem CID 139293955) has the molecular formula C18H19F4N3OS and a molecular weight of 401.43 g/mol. Its IUPAC name is (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione.

Molecular Properties

Compound Name(6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
PubChem CID139293955
Molecular FormulaC18H19F4N3OS
Molecular Weight401.43 g/mol
Exact Mass401.12
IUPAC Name(6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
SMILESFc1cc(F)c(F)c([C@H]2Cc3c(CCN4CCOCC4)[nH]c(=S)n3C2)c1F
InChIInChI=1S/C18H19F4N3OS/c19-11-8-12(20)17(22)15(16(11)21)10-7-14-13(23-18(27)25(14)9-10)1-2-24-3-5-26-6-4-24/h8,10H,1-7,9H2,(H,23,27)/t10-/m0/s1
InChIKeyRDYVPIMMCOSBPO-JTQLQIEISA-N
XLogP3.32
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
The IUPAC name of (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione (CID 139293955) is (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione.
What is the SMILES notation for (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
The canonical SMILES for (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione is Fc1cc(F)c(F)c([C@H]2Cc3c(CCN4CCOCC4)[nH]c(=S)n3C2)c1F.
What is the InChIKey of (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
The InChIKey is RDYVPIMMCOSBPO-JTQLQIEISA-N. The full InChI is InChI=1S/C18H19F4N3OS/c19-11-8-12(20)17(22)15(16(11)21)10-7-14-13(23-18(27)25(14)9-10)1-2-24-3-5-26-6-4-24/h8,10H,1-7,9H2,(H,23,27)/t10-/m0/s1.
What are the key properties of (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
(6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione has a molecular weight of 401.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(2-morpholin-4-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione is sourced from PubChem (CID 139293955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).