4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine

C18H16ClN5O2S — CID 11327090

IUPAC4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine
SMILESCOc1ccc(N2CCOCC2)c2sc(-c3nc4nc(Cl)ccc4[nH]3)nc12
InChIInChI=1S/C18H16ClN5O2S/c1-25-12-4-3-11(24-6-8-26-9-7-24)15-14(12)22-18(27-15)17-20-10-2-5-13(19)21-16(10)23-17/h2-5H,6-9H2,1H3,(H,20,21,23)
InChIKeyXUOVAUCUYVGDJH-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.73
Rot. Bonds3

About 4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine

4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine (PubChem CID 11327090) has the molecular formula C18H16ClN5O2S and a molecular weight of 401.88 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine
PubChem CID11327090
Molecular FormulaC18H16ClN5O2S
Molecular Weight401.88 g/mol
Exact Mass401.07
IUPAC Name4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine
SMILESCOc1ccc(N2CCOCC2)c2sc(-c3nc4nc(Cl)ccc4[nH]3)nc12
InChIInChI=1S/C18H16ClN5O2S/c1-25-12-4-3-11(24-6-8-26-9-7-24)15-14(12)22-18(27-15)17-20-10-2-5-13(19)21-16(10)23-17/h2-5H,6-9H2,1H3,(H,20,21,23)
InChIKeyXUOVAUCUYVGDJH-UHFFFAOYSA-N
XLogP3.73
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine?
The IUPAC name of 4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine (CID 11327090) is 4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine.
What is the SMILES notation for 4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine?
The canonical SMILES for 4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine is COc1ccc(N2CCOCC2)c2sc(-c3nc4nc(Cl)ccc4[nH]3)nc12.
What is the InChIKey of 4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine?
The InChIKey is XUOVAUCUYVGDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2S/c1-25-12-4-3-11(24-6-8-26-9-7-24)15-14(12)22-18(27-15)17-20-10-2-5-13(19)21-16(10)23-17/h2-5H,6-9H2,1H3,(H,20,21,23).
What are the key properties of 4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine?
4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine has a molecular weight of 401.88 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine is sourced from PubChem (CID 11327090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).