2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone

C18H20FN3O2S — CID 125155741

IUPAC2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESO=C(CC1=CSC2=NCCCN12)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O2S/c19-14-4-2-13(3-5-14)16-11-21(8-9-24-16)17(23)10-15-12-25-18-20-6-1-7-22(15)18/h2-5,12,16H,1,6-11H2/t16-/m1/s1
InChIKeyGHXDTNLBPJPGHH-MRXNPFEDSA-N
MW361.44 g/mol
LogP2.77
Rot. Bonds3

About 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone (PubChem CID 125155741) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
PubChem CID125155741
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESO=C(CC1=CSC2=NCCCN12)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O2S/c19-14-4-2-13(3-5-14)16-11-21(8-9-24-16)17(23)10-15-12-25-18-20-6-1-7-22(15)18/h2-5,12,16H,1,6-11H2/t16-/m1/s1
InChIKeyGHXDTNLBPJPGHH-MRXNPFEDSA-N
XLogP2.77
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 99993809
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135930631

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone (CID 125155741) is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone is O=C(CC1=CSC2=NCCCN12)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The InChIKey is GHXDTNLBPJPGHH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c19-14-4-2-13(3-5-14)16-11-21(8-9-24-16)17(23)10-15-12-25-18-20-6-1-7-22(15)18/h2-5,12,16H,1,6-11H2/t16-/m1/s1.
What are the key properties of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone has a molecular weight of 361.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 125155741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).