2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone

C16H17FN2O2S — CID 110329331

IUPAC2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
SMILESCc1nc(-c2ccc(F)cc2)sc1CC(=O)N1CCOCC1
InChIInChI=1S/C16H17FN2O2S/c1-11-14(10-15(20)19-6-8-21-9-7-19)22-16(18-11)12-2-4-13(17)5-3-12/h2-5H,6-10H2,1H3
InChIKeyIFQJJIANUGGQQJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.66
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone

2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone (PubChem CID 110329331) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
PubChem CID110329331
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
SMILESCc1nc(-c2ccc(F)cc2)sc1CC(=O)N1CCOCC1
InChIInChI=1S/C16H17FN2O2S/c1-11-14(10-15(20)19-6-8-21-9-7-19)22-16(18-11)12-2-4-13(17)5-3-12/h2-5H,6-10H2,1H3
InChIKeyIFQJJIANUGGQQJ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone (CID 110329331) is 2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone is Cc1nc(-c2ccc(F)cc2)sc1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone?
The InChIKey is IFQJJIANUGGQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-11-14(10-15(20)19-6-8-21-9-7-19)22-16(18-11)12-2-4-13(17)5-3-12/h2-5H,6-10H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone?
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone has a molecular weight of 320.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 110329331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).