[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C16H17FN2O2S — CID 45222199

IUPAC[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOC(Cc3ccc(F)cc3)C2)cs1
InChIInChI=1S/C16H17FN2O2S/c1-11-18-15(10-22-11)16(20)19-6-7-21-14(9-19)8-12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3
InChIKeyKYFUGYQHADZTIC-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.67
Rot. Bonds3

About [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 45222199) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID45222199
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOC(Cc3ccc(F)cc3)C2)cs1
InChIInChI=1S/C16H17FN2O2S/c1-11-18-15(10-22-11)16(20)19-6-7-21-14(9-19)8-12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3
InChIKeyKYFUGYQHADZTIC-UHFFFAOYSA-N
XLogP2.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 45222199) is [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCOC(Cc3ccc(F)cc3)C2)cs1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is KYFUGYQHADZTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-11-18-15(10-22-11)16(20)19-6-7-21-14(9-19)8-12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 45222199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).