[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone

C20H23N3OS2 — CID 24643480

IUPAC[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
SMILESCc1cc(C)c2c(C)c(C(=O)N3CCN(Cc4ccsc4)CC3)sc2n1
InChIInChI=1S/C20H23N3OS2/c1-13-10-14(2)21-19-17(13)15(3)18(26-19)20(24)23-7-5-22(6-8-23)11-16-4-9-25-12-16/h4,9-10,12H,5-8,11H2,1-3H3
InChIKeyTVUISBAGSSRBLL-UHFFFAOYSA-N
MW385.56 g/mol
LogP4.24
Rot. Bonds3

About [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone

[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone (PubChem CID 24643480) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
PubChem CID24643480
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC Name[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
SMILESCc1cc(C)c2c(C)c(C(=O)N3CCN(Cc4ccsc4)CC3)sc2n1
InChIInChI=1S/C20H23N3OS2/c1-13-10-14(2)21-19-17(13)15(3)18(26-19)20(24)23-7-5-22(6-8-23)11-16-4-9-25-12-16/h4,9-10,12H,5-8,11H2,1-3H3
InChIKeyTVUISBAGSSRBLL-UHFFFAOYSA-N
XLogP4.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 37279499
[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 24610069
2,5,6-trimethyl-4-[4-methyl-5-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]pyridazin-3-one
CID 47029944
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 22512641
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 23943369
(2-methyl-5-methylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181515
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
(3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane
CID 158430581
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 9092541
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
4-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
CID 46636746

Frequently Asked Questions

What is the IUPAC name of [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone?
The IUPAC name of [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone (CID 24643480) is [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone?
The canonical SMILES for [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone is Cc1cc(C)c2c(C)c(C(=O)N3CCN(Cc4ccsc4)CC3)sc2n1.
What is the InChIKey of [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone?
The InChIKey is TVUISBAGSSRBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-13-10-14(2)21-19-17(13)15(3)18(26-19)20(24)23-7-5-22(6-8-23)11-16-4-9-25-12-16/h4,9-10,12H,5-8,11H2,1-3H3.
What are the key properties of [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone?
[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone has a molecular weight of 385.56 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone is sourced from PubChem (CID 24643480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).