4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one

C19H18N4O2S — CID 134161482

IUPAC4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one
SMILESCCc1nc2ccc(C(=O)N3CCN(c4ccccn4)C(=O)C3)cc2s1
InChIInChI=1S/C19H18N4O2S/c1-2-17-21-14-7-6-13(11-15(14)26-17)19(25)22-9-10-23(18(24)12-22)16-5-3-4-8-20-16/h3-8,11H,2,9-10,12H2,1H3
InChIKeyALULJLHKJUFSKR-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.74
Rot. Bonds3

About 4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one

4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one (PubChem CID 134161482) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one
PubChem CID134161482
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one
SMILESCCc1nc2ccc(C(=O)N3CCN(c4ccccn4)C(=O)C3)cc2s1
InChIInChI=1S/C19H18N4O2S/c1-2-17-21-14-7-6-13(11-15(14)26-17)19(25)22-9-10-23(18(24)12-22)16-5-3-4-8-20-16/h3-8,11H,2,9-10,12H2,1H3
InChIKeyALULJLHKJUFSKR-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one
CID 134160857
(2-ethyl-1,3-benzothiazol-6-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150005
(2-ethyl-1,3-benzothiazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594199
(2-ethyl-1,3-benzothiazol-6-yl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589684
[(1R,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2-ethyl-1,3-benzothiazol-6-yl)methanone
CID 97417318
(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
CID 60656782
4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one
CID 60636409
2-methyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-benzothiazole-6-carboxamide
CID 99875636
2-ethyl-1,3-benzothiazole-5-carboxylic acid
CID 59426527
(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 75366132
1,3-benzothiazol-6-yl-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90507729
4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one
CID 134161192

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one?
The IUPAC name of 4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one (CID 134161482) is 4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one?
The canonical SMILES for 4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one is CCc1nc2ccc(C(=O)N3CCN(c4ccccn4)C(=O)C3)cc2s1.
What is the InChIKey of 4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one?
The InChIKey is ALULJLHKJUFSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-2-17-21-14-7-6-13(11-15(14)26-17)19(25)22-9-10-23(18(24)12-22)16-5-3-4-8-20-16/h3-8,11H,2,9-10,12H2,1H3.
What are the key properties of 4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one?
4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one has a molecular weight of 366.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one is sourced from PubChem (CID 134161482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).