3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

C14H12N4O3S2 — CID 138023552

IUPAC3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2sccc2c1=O)N1CC(Oc2nccs2)C1
InChIInChI=1S/C14H12N4O3S2/c19-11(17-5-9(6-17)21-14-15-2-4-23-14)7-18-8-16-12-10(13(18)20)1-3-22-12/h1-4,8-9H,5-7H2
InChIKeyMKEUXKJWLISEEW-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.20
Rot. Bonds4

About 3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 138023552) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID138023552
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC Name3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2sccc2c1=O)N1CC(Oc2nccs2)C1
InChIInChI=1S/C14H12N4O3S2/c19-11(17-5-9(6-17)21-14-15-2-4-23-14)7-18-8-16-12-10(13(18)20)1-3-22-12/h1-4,8-9H,5-7H2
InChIKeyMKEUXKJWLISEEW-UHFFFAOYSA-N
XLogP1.20
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 55131726
5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
CID 121150592
1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 90627589
2-(benzotriazol-1-yl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
CID 90627642
3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 95586221
2-(benzimidazol-1-yl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150531
cyclopropyl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 73168830
3-[2-oxo-2-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 136533510
3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 94053975
1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119136795
3-methyl-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119256435
3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 61410944

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one (CID 138023552) is 3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one is O=C(Cn1cnc2sccc2c1=O)N1CC(Oc2nccs2)C1.
What is the InChIKey of 3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MKEUXKJWLISEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c19-11(17-5-9(6-17)21-14-15-2-4-23-14)7-18-8-16-12-10(13(18)20)1-3-22-12/h1-4,8-9H,5-7H2.
What are the key properties of 3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 348.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138023552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).