1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one

C18H24N4OS — CID 124515161

IUPAC1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1=O
InChIInChI=1S/C18H24N4OS/c1-2-21-11-9-19-16(18(21)23)22-10-5-6-13(12-22)17-20-14-7-3-4-8-15(14)24-17/h9,11,13H,2-8,10,12H2,1H3/t13-/m0/s1
InChIKeyDRXAEVMAOHRULB-ZDUSSCGKSA-N
MW344.48 g/mol
LogP2.98
Rot. Bonds3

About 1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one

1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one (PubChem CID 124515161) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one
PubChem CID124515161
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1=O
InChIInChI=1S/C18H24N4OS/c1-2-21-11-9-19-16(18(21)23)22-10-5-6-13(12-22)17-20-14-7-3-4-8-15(14)24-17/h9,11,13H,2-8,10,12H2,1H3/t13-/m0/s1
InChIKeyDRXAEVMAOHRULB-ZDUSSCGKSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one (CID 124515161) is 1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one is CCn1ccnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one?
The InChIKey is DRXAEVMAOHRULB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-21-11-9-19-16(18(21)23)22-10-5-6-13(12-22)17-20-14-7-3-4-8-15(14)24-17/h9,11,13H,2-8,10,12H2,1H3/t13-/m0/s1.
What are the key properties of 1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one?
1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one has a molecular weight of 344.48 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 124515161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).