4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine

C19H19FN2OS — CID 90320510

IUPAC4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(N2CCOCC2)nc1Cc1ccc2ccc(F)cc2c1
InChIInChI=1S/C19H19FN2OS/c1-13-18(21-19(24-13)22-6-8-23-9-7-22)11-14-2-3-15-4-5-17(20)12-16(15)10-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyMUCRYUAWKREOCC-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.17
Rot. Bonds3

About 4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine

4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine (PubChem CID 90320510) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine
PubChem CID90320510
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(N2CCOCC2)nc1Cc1ccc2ccc(F)cc2c1
InChIInChI=1S/C19H19FN2OS/c1-13-18(21-19(24-13)22-6-8-23-9-7-22)11-14-2-3-15-4-5-17(20)12-16(15)10-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyMUCRYUAWKREOCC-UHFFFAOYSA-N
XLogP4.17
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine (CID 90320510) is 4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine is Cc1sc(N2CCOCC2)nc1Cc1ccc2ccc(F)cc2c1.
What is the InChIKey of 4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine?
The InChIKey is MUCRYUAWKREOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-13-18(21-19(24-13)22-6-8-23-9-7-22)11-14-2-3-15-4-5-17(20)12-16(15)10-14/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine?
4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine has a molecular weight of 342.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(7-fluoronaphthalen-2-yl)methyl]-5-methyl-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 90320510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).