1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone

C12H12N2O2S — CID 121105796

IUPAC1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CC(CO)C1
InChIInChI=1S/C12H12N2O2S/c15-7-8-5-14(6-8)12(16)11-13-9-3-1-2-4-10(9)17-11/h1-4,8,15H,5-7H2
InChIKeyGPOFGLIWTCVLFO-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.36
Rot. Bonds2

About 1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone

1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 121105796) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID121105796
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CC(CO)C1
InChIInChI=1S/C12H12N2O2S/c15-7-8-5-14(6-8)12(16)11-13-9-3-1-2-4-10(9)17-11/h1-4,8,15H,5-7H2
InChIKeyGPOFGLIWTCVLFO-UHFFFAOYSA-N
XLogP1.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzothiazol-2-yl-[3-(1,2,4-triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 131702861
2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126927229
1,3-benzothiazol-2-yl-[(3S)-3-[(E)-but-2-enyl]piperidin-1-yl]methanone
CID 144766374
N-[[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210339
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 100816308
1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
CID 91814547
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 100816307
1,3-benzothiazol-2-yl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 91818932
1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride
CID 71783267
3-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944715
[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897904
1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134792

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 121105796) is 1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone is O=C(c1nc2ccccc2s1)N1CC(CO)C1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is GPOFGLIWTCVLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-7-8-5-14(6-8)12(16)11-13-9-3-1-2-4-10(9)17-11/h1-4,8,15H,5-7H2.
What are the key properties of 1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 248.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 121105796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).