4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine

C18H23N3O2S — CID 77091734

IUPAC4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESCOc1ccc2c(c1)CCN(Cc1cnc(N3CCOCC3)s1)C2
InChIInChI=1S/C18H23N3O2S/c1-22-16-3-2-15-12-20(5-4-14(15)10-16)13-17-11-19-18(24-17)21-6-8-23-9-7-21/h2-3,10-11H,4-9,12-13H2,1H3
InChIKeyBGIWQTKQRVJLBQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.55
Rot. Bonds4

About 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine

4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 77091734) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID77091734
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESCOc1ccc2c(c1)CCN(Cc1cnc(N3CCOCC3)s1)C2
InChIInChI=1S/C18H23N3O2S/c1-22-16-3-2-15-12-20(5-4-14(15)10-16)13-17-11-19-18(24-17)21-6-8-23-9-7-21/h2-3,10-11H,4-9,12-13H2,1H3
InChIKeyBGIWQTKQRVJLBQ-UHFFFAOYSA-N
XLogP2.55
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine (CID 77091734) is 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine is COc1ccc2c(c1)CCN(Cc1cnc(N3CCOCC3)s1)C2.
What is the InChIKey of 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is BGIWQTKQRVJLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-22-16-3-2-15-12-20(5-4-14(15)10-16)13-17-11-19-18(24-17)21-6-8-23-9-7-21/h2-3,10-11H,4-9,12-13H2,1H3.
What are the key properties of 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 345.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 77091734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).