4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine

C23H19N5OS — CID 25051112

IUPAC4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine
SMILESc1cc2nc(-c3ccc4nc(-c5ccc(N6CCOCC6)cc5)[nH]c4c3)sc2cn1
InChIInChI=1S/C23H19N5OS/c1-4-17(28-9-11-29-12-10-28)5-2-15(1)22-25-18-6-3-16(13-20(18)26-22)23-27-19-7-8-24-14-21(19)30-23/h1-8,13-14H,9-12H2,(H,25,26)
InChIKeyNDPBXLKIHNZQQH-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.74
Rot. Bonds3

About 4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine

4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine (PubChem CID 25051112) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine
PubChem CID25051112
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine
SMILESc1cc2nc(-c3ccc4nc(-c5ccc(N6CCOCC6)cc5)[nH]c4c3)sc2cn1
InChIInChI=1S/C23H19N5OS/c1-4-17(28-9-11-29-12-10-28)5-2-15(1)22-25-18-6-3-16(13-20(18)26-22)23-27-19-7-8-24-14-21(19)30-23/h1-8,13-14H,9-12H2,(H,25,26)
InChIKeyNDPBXLKIHNZQQH-UHFFFAOYSA-N
XLogP4.74
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine (CID 25051112) is 4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine is c1cc2nc(-c3ccc4nc(-c5ccc(N6CCOCC6)cc5)[nH]c4c3)sc2cn1.
What is the InChIKey of 4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine?
The InChIKey is NDPBXLKIHNZQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-4-17(28-9-11-29-12-10-28)5-2-15(1)22-25-18-6-3-16(13-20(18)26-22)23-27-19-7-8-24-14-21(19)30-23/h1-8,13-14H,9-12H2,(H,25,26).
What are the key properties of 4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine?
4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine has a molecular weight of 413.51 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine is sourced from PubChem (CID 25051112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).