2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one

C19H18N4O2S — CID 126927217

IUPAC2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=C(c1ccc2ncsc2c1)N1CC(Cn2nc(C3CC3)ccc2=O)C1
InChIInChI=1S/C19H18N4O2S/c24-18-6-5-15(13-1-2-13)21-23(18)10-12-8-22(9-12)19(25)14-3-4-16-17(7-14)26-11-20-16/h3-7,11-13H,1-2,8-10H2
InChIKeyOWXGGQWVGQCQPZ-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.50
Rot. Bonds4

About 2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one

2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one (PubChem CID 126927217) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
PubChem CID126927217
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=C(c1ccc2ncsc2c1)N1CC(Cn2nc(C3CC3)ccc2=O)C1
InChIInChI=1S/C19H18N4O2S/c24-18-6-5-15(13-1-2-13)21-23(18)10-12-8-22(9-12)19(25)14-3-4-16-17(7-14)26-11-20-16/h3-7,11-13H,1-2,8-10H2
InChIKeyOWXGGQWVGQCQPZ-UHFFFAOYSA-N
XLogP2.50
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929592
3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022585
2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126927229
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7096348
1,3-benzothiazol-6-yl-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 119103974
6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923438
3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide
CID 126766405
6-methyl-2-[[1-(quinoline-6-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926956
1,3-benzothiazol-6-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61410984
1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99992556
1,3-benzothiazol-6-yl-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 47017726

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one (CID 126927217) is 2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one is O=C(c1ccc2ncsc2c1)N1CC(Cn2nc(C3CC3)ccc2=O)C1.
What is the InChIKey of 2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one?
The InChIKey is OWXGGQWVGQCQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-18-6-5-15(13-1-2-13)21-23(18)10-12-8-22(9-12)19(25)14-3-4-16-17(7-14)26-11-20-16/h3-7,11-13H,1-2,8-10H2.
What are the key properties of 2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one?
2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one has a molecular weight of 366.45 g/mol, XLogP of 2.50, 4 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-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one is sourced from PubChem (CID 126927217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).