[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone

C19H24N4OS — CID 90647890

IUPAC[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)c3scc4c3CCCC4)CC2)n1
InChIInChI=1S/C19H24N4OS/c1-13-11-20-14(2)18(21-13)22-7-9-23(10-8-22)19(24)17-16-6-4-3-5-15(16)12-25-17/h11-12H,3-10H2,1-2H3
InChIKeyZEFXSWJBARDMFR-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.00
Rot. Bonds2

About [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone

[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone (PubChem CID 90647890) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone.

Molecular Properties

Compound Name[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
PubChem CID90647890
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)c3scc4c3CCCC4)CC2)n1
InChIInChI=1S/C19H24N4OS/c1-13-11-20-14(2)18(21-13)22-7-9-23(10-8-22)19(24)17-16-6-4-3-5-15(16)12-25-17/h11-12H,3-10H2,1-2H3
InChIKeyZEFXSWJBARDMFR-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 156585711
[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 138808982
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 70788203
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one
CID 77082199
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724
(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133469270
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 91771469
1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 45213447
1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 70720048
(2R)-2-amino-1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-methyl-3-methylsulfanylbutan-1-one;dihydrochloride
CID 163338152
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone?
The IUPAC name of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone (CID 90647890) is [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone.
What is the SMILES notation for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone?
The canonical SMILES for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone is Cc1cnc(C)c(N2CCN(C(=O)c3scc4c3CCCC4)CC2)n1.
What is the InChIKey of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone?
The InChIKey is ZEFXSWJBARDMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-13-11-20-14(2)18(21-13)22-7-9-23(10-8-22)19(24)17-16-6-4-3-5-15(16)12-25-17/h11-12H,3-10H2,1-2H3.
What are the key properties of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone?
[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone has a molecular weight of 356.50 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone is sourced from PubChem (CID 90647890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).