3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride

C12H17Cl2N5OS — CID 69364402

IUPAC3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1sc2nccc(N3CCNCC3)c2c1N
InChIInChI=1S/C12H15N5OS.2ClH/c13-9-8-7(17-5-3-15-4-6-17)1-2-16-12(8)19-10(9)11(14)18;;/h1-2,15H,3-6,13H2,(H2,14,18);2*1H
InChIKeyKXKCELIIUPVSFB-UHFFFAOYSA-N
MW350.28 g/mol
LogP1.23
Rot. Bonds2

About 3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride

3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride (PubChem CID 69364402) has the molecular formula C12H17Cl2N5OS and a molecular weight of 350.28 g/mol. Its IUPAC name is 3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride
PubChem CID69364402
Molecular FormulaC12H17Cl2N5OS
Molecular Weight350.28 g/mol
Exact Mass349.05
IUPAC Name3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1sc2nccc(N3CCNCC3)c2c1N
InChIInChI=1S/C12H15N5OS.2ClH/c13-9-8-7(17-5-3-15-4-6-17)1-2-16-12(8)19-10(9)11(14)18;;/h1-2,15H,3-6,13H2,(H2,14,18);2*1H
InChIKeyKXKCELIIUPVSFB-UHFFFAOYSA-N
XLogP1.23
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69364640
3-amino-4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69365102
3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69131930
3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 69365830
3-amino-4-[4-(4-methylsulfanylphenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69363221
4-[4-(4-acetyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3-aminothieno[2,3-b]pyridine-2-carboxamide
CID 11502568
3-amino-4-[4-[4-(morpholine-4-carbonyl)phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 11496671
3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69365642
4-acetamido-3-aminothieno[2,3-b]pyridine-2-carboxamide
CID 90436738
3-amino-4-(4-pyridin-4-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide;(Z)-2-cyano-3-(4-pyridin-4-yl-1,4-diazepan-1-yl)but-2-enethioamide
CID 157475799
3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69366065
tert-butyl N-[2-[[1-(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl)piperidin-3-yl]methoxy]ethyl]carbamate
CID 69366737

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride (CID 69364402) is 3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1sc2nccc(N3CCNCC3)c2c1N.
What is the InChIKey of 3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is KXKCELIIUPVSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS.2ClH/c13-9-8-7(17-5-3-15-4-6-17)1-2-16-12(8)19-10(9)11(14)18;;/h1-2,15H,3-6,13H2,(H2,14,18);2*1H.
What are the key properties of 3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride?
3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 350.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 69364402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).