2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile

C17H12N4O2S — CID 122252420

IUPAC2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C17H12N4O2S/c18-8-11-5-6-19-15(7-11)23-12-9-21(10-12)17(22)16-20-13-3-1-2-4-14(13)24-16/h1-7,12H,9-10H2
InChIKeyRDMDLXIPADEHQA-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.47
Rot. Bonds3

About 2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252420) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252420
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C17H12N4O2S/c18-8-11-5-6-19-15(7-11)23-12-9-21(10-12)17(22)16-20-13-3-1-2-4-14(13)24-16/h1-7,12H,9-10H2
InChIKeyRDMDLXIPADEHQA-UHFFFAOYSA-N
XLogP2.47
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252365
2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252310
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252488
2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252403
2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252291
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236
2-[1-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252461
2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252219
N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122252200
2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252525

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252420) is 2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CN(C(=O)c3nc4ccccc4s3)C2)c1.
What is the InChIKey of 2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is RDMDLXIPADEHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c18-8-11-5-6-19-15(7-11)23-12-9-21(10-12)17(22)16-20-13-3-1-2-4-14(13)24-16/h1-7,12H,9-10H2.
What are the key properties of 2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 336.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).