(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

C13H13N3O3S — CID 90627573

IUPAC(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CC(Oc2nccs2)C1
InChIInChI=1S/C13H13N3O3S/c1-18-11-10(3-2-4-14-11)12(17)16-7-9(8-16)19-13-15-5-6-20-13/h2-6,9H,7-8H2,1H3
InChIKeyXDXZRHSAOXVOCT-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.45
Rot. Bonds4

About (2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (PubChem CID 90627573) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
PubChem CID90627573
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CC(Oc2nccs2)C1
InChIInChI=1S/C13H13N3O3S/c1-18-11-10(3-2-4-14-11)12(17)16-7-9(8-16)19-13-15-5-6-20-13/h2-6,9H,7-8H2,1H3
InChIKeyXDXZRHSAOXVOCT-UHFFFAOYSA-N
XLogP1.45
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150505
(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627456
methyl 2-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzoate
CID 121150532
(6-methyl-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154781940
(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627581
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-methoxy-3-pyridinyl)methanone
CID 66211207
N-(2-methoxyphenyl)-3-(1,3-thiazol-2-yloxy)azetidine-1-carboxamide
CID 90627691
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 121154408
[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 90627450
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56864464
cyclopropyl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 73168830
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (CID 90627573) is (2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is COc1ncccc1C(=O)N1CC(Oc2nccs2)C1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The InChIKey is XDXZRHSAOXVOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-18-11-10(3-2-4-14-11)12(17)16-7-9(8-16)19-13-15-5-6-20-13/h2-6,9H,7-8H2,1H3.
What are the key properties of (2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone has a molecular weight of 291.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is sourced from PubChem (CID 90627573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).