1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone

C16H15N3O2S — CID 126857975

IUPAC1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCC(c2ncco2)CC1
InChIInChI=1S/C16H15N3O2S/c20-16(15-18-12-3-1-2-4-13(12)22-15)19-8-5-11(6-9-19)14-17-7-10-21-14/h1-4,7,10-11H,5-6,8-9H2
InChIKeyQKWRABURQIHZRO-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.30
Rot. Bonds2

About 1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone

1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone (PubChem CID 126857975) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone
PubChem CID126857975
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCC(c2ncco2)CC1
InChIInChI=1S/C16H15N3O2S/c20-16(15-18-12-3-1-2-4-13(12)22-15)19-8-5-11(6-9-19)14-17-7-10-21-14/h1-4,7,10-11H,5-6,8-9H2
InChIKeyQKWRABURQIHZRO-UHFFFAOYSA-N
XLogP3.30
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897904
1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
CID 126855118
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 100816308
1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126910007
N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
CID 154866172
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 100816307
3-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944715
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55886502
1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617145
1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889184
1,3-benzothiazol-2-yl-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]methanone
CID 90629795
1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105796

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone (CID 126857975) is 1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone is O=C(c1nc2ccccc2s1)N1CCC(c2ncco2)CC1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is QKWRABURQIHZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(15-18-12-3-1-2-4-13(12)22-15)19-8-5-11(6-9-19)14-17-7-10-21-14/h1-4,7,10-11H,5-6,8-9H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 313.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126857975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).