7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one

C19H22N6OS — CID 170960938

IUPAC7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
SMILESO=C1c2cncn2CCN1CCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C19H22N6OS/c26-19-16-13-20-14-25(16)12-11-24(19)10-7-22-5-8-23(9-6-22)18-15-3-1-2-4-17(15)27-21-18/h1-4,13-14H,5-12H2
InChIKeyYBIRMVGSWQCZCI-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.77
Rot. Bonds4

About 7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one

7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one (PubChem CID 170960938) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
PubChem CID170960938
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
SMILESO=C1c2cncn2CCN1CCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C19H22N6OS/c26-19-16-13-20-14-25(16)12-11-24(19)10-7-22-5-8-23(9-6-22)18-15-3-1-2-4-17(15)27-21-18/h1-4,13-14H,5-12H2
InChIKeyYBIRMVGSWQCZCI-UHFFFAOYSA-N
XLogP1.77
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-methyl-5,6-dihydro-4H-pyrazolo[5,4-c]azepin-8-one
CID 146343571
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-methyl-7,8-dihydro-6H-pyrazolo[4,5-c]azepin-4-one
CID 146343562
7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 170960944
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one
CID 146343639
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-methyl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
CID 146344036
7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-8-oxo-5,6-dihydro-2,7-naphthyridine-3-carbonitrile
CID 146309246
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-3H-isoindol-1-one
CID 67836068
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-[1,3]oxazolo[5,4-c]azepin-4-one
CID 146641081
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3-methyl-7,8-dihydro-6H-[1,2]oxazolo[4,5-c]azepin-4-one
CID 146344645
2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione
CID 10873758
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-4-one
CID 155903315

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one (CID 170960938) is 7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one is O=C1c2cncn2CCN1CCN1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of 7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
The InChIKey is YBIRMVGSWQCZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c26-19-16-13-20-14-25(16)12-11-24(19)10-7-22-5-8-23(9-6-22)18-15-3-1-2-4-17(15)27-21-18/h1-4,13-14H,5-12H2.
What are the key properties of 7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one?
7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one has a molecular weight of 382.49 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,6-dihydroimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 170960938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).