(4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone

C17H17N3OS2 — CID 139653297

IUPAC(4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone
SMILESCN1CCN(C(=O)c2sc3ncccc3c2-c2cccs2)CC1
InChIInChI=1S/C17H17N3OS2/c1-19-7-9-20(10-8-19)17(21)15-14(13-5-3-11-22-13)12-4-2-6-18-16(12)23-15/h2-6,11H,7-10H2,1H3
InChIKeyLUGOUSMOJHFXIL-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.41
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone

(4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone (PubChem CID 139653297) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone
PubChem CID139653297
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name(4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone
SMILESCN1CCN(C(=O)c2sc3ncccc3c2-c2cccs2)CC1
InChIInChI=1S/C17H17N3OS2/c1-19-7-9-20(10-8-19)17(21)15-14(13-5-3-11-22-13)12-4-2-6-18-16(12)23-15/h2-6,11H,7-10H2,1H3
InChIKeyLUGOUSMOJHFXIL-UHFFFAOYSA-N
XLogP3.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone with MolForge

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Related Compounds

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(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
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N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
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(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
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(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
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(4-methylpiperazin-1-yl)-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
CID 118754782
(3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
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(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-(3-methylthiophen-2-yl)methanone
CID 97468896
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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone (CID 139653297) is (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone is CN1CCN(C(=O)c2sc3ncccc3c2-c2cccs2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone?
The InChIKey is LUGOUSMOJHFXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-19-7-9-20(10-8-19)17(21)15-14(13-5-3-11-22-13)12-4-2-6-18-16(12)23-15/h2-6,11H,7-10H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone?
(4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone has a molecular weight of 343.48 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone is sourced from PubChem (CID 139653297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).