3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

C18H15N5O2S — CID 91627966

IUPAC3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCN(C(=O)c2ccc3ncsc3c2)C1
InChIInChI=1S/C18H15N5O2S/c19-9-15-17(21-6-5-20-15)25-13-2-1-7-23(10-13)18(24)12-3-4-14-16(8-12)26-11-22-14/h3-6,8,11,13H,1-2,7,10H2
InChIKeySMCWJTKHPXJROK-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.64
Rot. Bonds3

About 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 91627966) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID91627966
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCN(C(=O)c2ccc3ncsc3c2)C1
InChIInChI=1S/C18H15N5O2S/c19-9-15-17(21-6-5-20-15)25-13-2-1-7-23(10-13)18(24)12-3-4-14-16(8-12)26-11-22-14/h3-6,8,11,13H,1-2,7,10H2
InChIKeySMCWJTKHPXJROK-UHFFFAOYSA-N
XLogP2.64
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650587
3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627978
3-[1-(3-bromobenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636527
3-[1-(6-ethoxypyridine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628047
3-[1-(3,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636515
3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650696
3-[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626761
3-[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636546
(3R)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid
CID 81118458
3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650467
1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122247836
3-[(3R)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100648935

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 91627966) is 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCCN(C(=O)c2ccc3ncsc3c2)C1.
What is the InChIKey of 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is SMCWJTKHPXJROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c19-9-15-17(21-6-5-20-15)25-13-2-1-7-23(10-13)18(24)12-3-4-14-16(8-12)26-11-22-14/h3-6,8,11,13H,1-2,7,10H2.
What are the key properties of 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 365.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91627966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).