1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone

C19H16N4OS — CID 139028278

IUPAC1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone
SMILESCc1nc2ccccc2n1C1CN(C(=O)c2ccc3ncsc3c2)C1
InChIInChI=1S/C19H16N4OS/c1-12-21-15-4-2-3-5-17(15)23(12)14-9-22(10-14)19(24)13-6-7-16-18(8-13)25-11-20-16/h2-8,11,14H,9-10H2,1H3
InChIKeyDRABWLVSTOTLLL-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.65
Rot. Bonds2

About 1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone

1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone (PubChem CID 139028278) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone
PubChem CID139028278
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone
SMILESCc1nc2ccccc2n1C1CN(C(=O)c2ccc3ncsc3c2)C1
InChIInChI=1S/C19H16N4OS/c1-12-21-15-4-2-3-5-17(15)23(12)14-9-22(10-14)19(24)13-6-7-16-18(8-13)25-11-20-16/h2-8,11,14H,9-10H2,1H3
InChIKeyDRABWLVSTOTLLL-UHFFFAOYSA-N
XLogP3.65
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7096348
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
4-[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]-1-methylpiperazin-2-one
CID 146024362
1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247042
1,3-benzothiazol-6-yl-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947149
1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275
1,3-benzothiazol-6-yl-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 9450209
(4S,5R)-3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74224687
(4-benzhydrylpiperazin-1-yl)-(1,3-benzothiazol-6-yl)methanone
CID 9337184
methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
CID 43404805
(3R)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid
CID 81118458

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone (CID 139028278) is 1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone is Cc1nc2ccccc2n1C1CN(C(=O)c2ccc3ncsc3c2)C1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is DRABWLVSTOTLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-21-15-4-2-3-5-17(15)23(12)14-9-22(10-14)19(24)13-6-7-16-18(8-13)25-11-20-16/h2-8,11,14H,9-10H2,1H3.
What are the key properties of 1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone?
1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 348.43 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 139028278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).