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

C19H18N4O2S — CID 126927229

IUPAC2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=C(c1nc2ccccc2s1)N1CC(Cn2nc(C3CC3)ccc2=O)C1
InChIInChI=1S/C19H18N4O2S/c24-17-8-7-14(13-5-6-13)21-23(17)11-12-9-22(10-12)19(25)18-20-15-3-1-2-4-16(15)26-18/h1-4,7-8,12-13H,5-6,9-11H2
InChIKeyFCGPSFHXRYUJJI-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.50
Rot. Bonds4

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

2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one (PubChem CID 126927229) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
PubChem CID126927229
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=C(c1nc2ccccc2s1)N1CC(Cn2nc(C3CC3)ccc2=O)C1
InChIInChI=1S/C19H18N4O2S/c24-17-8-7-14(13-5-6-13)21-23(17)11-12-9-22(10-12)19(25)18-20-15-3-1-2-4-16(15)26-18/h1-4,7-8,12-13H,5-6,9-11H2
InChIKeyFCGPSFHXRYUJJI-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-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one with MolForge

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Related Compounds

1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105796
1,3-benzothiazol-2-yl-[3-(1,2,4-triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 131702861
2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126927217
2-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862679
3-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944715
6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927356
6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927427
1,3-benzothiazol-2-yl-[(3S)-3-[(E)-but-2-enyl]piperidin-1-yl]methanone
CID 144766374
6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
3-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943364
6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927238
2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865130

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one (CID 126927229) is 2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one is O=C(c1nc2ccccc2s1)N1CC(Cn2nc(C3CC3)ccc2=O)C1.
What is the InChIKey of 2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one?
The InChIKey is FCGPSFHXRYUJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-17-8-7-14(13-5-6-13)21-23(17)11-12-9-22(10-12)19(25)18-20-15-3-1-2-4-16(15)26-18/h1-4,7-8,12-13H,5-6,9-11H2.
What are the key properties of 2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one?
2-[[1-(1,3-benzothiazole-2-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-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one is sourced from PubChem (CID 126927229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).