1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone

C15H14N4O3S2 — CID 91814547

IUPAC1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CN(C(=O)c2nc3ccccc3s2)C1
InChIInChI=1S/C15H14N4O3S2/c1-18-7-6-16-15(18)24(21,22)10-8-19(9-10)14(20)13-17-11-4-2-3-5-12(11)23-13/h2-7,10H,8-9H2,1H3
InChIKeyQEEJMSZSRFCPGV-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.33
Rot. Bonds3

About 1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone

1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone (PubChem CID 91814547) has the molecular formula C15H14N4O3S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
PubChem CID91814547
Molecular FormulaC15H14N4O3S2
Molecular Weight362.44 g/mol
Exact Mass362.05
IUPAC Name1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CN(C(=O)c2nc3ccccc3s2)C1
InChIInChI=1S/C15H14N4O3S2/c1-18-7-6-16-15(18)24(21,22)10-8-19(9-10)14(20)13-17-11-4-2-3-5-12(11)23-13/h2-7,10H,8-9H2,1H3
InChIKeyQEEJMSZSRFCPGV-UHFFFAOYSA-N
XLogP1.33
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105796
[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 91814576
[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 121151967
1,3-benzothiazol-2-yl-[3-(1,2,4-triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 131702861
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 100816307
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 21007904
2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126927229
2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252420
1,3-benzothiazol-2-yl-[(3S)-3-[(E)-but-2-enyl]piperidin-1-yl]methanone
CID 144766374
1,3-benzothiazol-2-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203897
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-(1,3-oxazol-2-yl)piperidin-1-yl]methanone
CID 126857975

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone (CID 91814547) is 1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone is Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2nc3ccccc3s2)C1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
The InChIKey is QEEJMSZSRFCPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S2/c1-18-7-6-16-15(18)24(21,22)10-8-19(9-10)14(20)13-17-11-4-2-3-5-12(11)23-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone has a molecular weight of 362.44 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 91814547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).