4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine

C12H15N3S — CID 132554244

IUPAC4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine
SMILESCN1CCN(c2ccnc3sccc23)CC1
InChIInChI=1S/C12H15N3S/c1-14-5-7-15(8-6-14)11-2-4-13-12-10(11)3-9-16-12/h2-4,9H,5-8H2,1H3
InChIKeyIDXOSBAYXCBSCU-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.05
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine

4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine (PubChem CID 132554244) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine
PubChem CID132554244
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine
SMILESCN1CCN(c2ccnc3sccc23)CC1
InChIInChI=1S/C12H15N3S/c1-14-5-7-15(8-6-14)11-2-4-13-12-10(11)3-9-16-12/h2-4,9H,5-8H2,1H3
InChIKeyIDXOSBAYXCBSCU-UHFFFAOYSA-N
XLogP2.05
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 123327460
4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine
CID 159832706
(3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine
CID 141411026
2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole
CID 138570550
4-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)pyridin-2-amine
CID 67174390
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline
CID 22032346
[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334986
4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
thieno[2,3-b]pyridin-4-ylmethanamine
CID 82414814
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 59860128
(1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone
CID 172902881

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine (CID 132554244) is 4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine is CN1CCN(c2ccnc3sccc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine?
The InChIKey is IDXOSBAYXCBSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-14-5-7-15(8-6-14)11-2-4-13-12-10(11)3-9-16-12/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine?
4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine has a molecular weight of 233.34 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine is sourced from PubChem (CID 132554244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).