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

C18H19N3OS — CID 90320504

IUPAC4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(N2CCOCC2)nc1Cc1ccc2cnccc2c1
InChIInChI=1S/C18H19N3OS/c1-13-17(20-18(23-13)21-6-8-22-9-7-21)11-14-2-3-16-12-19-5-4-15(16)10-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyNMTGCSZHWOOXHU-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.43
Rot. Bonds3

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

4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine (PubChem CID 90320504) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
PubChem CID90320504
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(N2CCOCC2)nc1Cc1ccc2cnccc2c1
InChIInChI=1S/C18H19N3OS/c1-13-17(20-18(23-13)21-6-8-22-9-7-21)11-14-2-3-16-12-19-5-4-15(16)10-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyNMTGCSZHWOOXHU-UHFFFAOYSA-N
XLogP3.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine (CID 90320504) is 4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine is Cc1sc(N2CCOCC2)nc1Cc1ccc2cnccc2c1.
What is the InChIKey of 4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The InChIKey is NMTGCSZHWOOXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-17(20-18(23-13)21-6-8-22-9-7-21)11-14-2-3-16-12-19-5-4-15(16)10-14/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine has a molecular weight of 325.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(isoquinolin-6-ylmethyl)-5-methyl-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 90320504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).