6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride

C12H16Cl3N3S — CID 87855093

IUPAC6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride
SMILESCl.Cl.Clc1cc2sccc2c(NC2CCNCC2)n1
InChIInChI=1S/C12H14ClN3S.2ClH/c13-11-7-10-9(3-6-17-10)12(16-11)15-8-1-4-14-5-2-8;;/h3,6-8,14H,1-2,4-5H2,(H,15,16);2*1H
InChIKeyXHMSQRWQWKAMFV-UHFFFAOYSA-N
MW340.71 g/mol
LogP3.96
Rot. Bonds2

About 6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride

6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride (PubChem CID 87855093) has the molecular formula C12H16Cl3N3S and a molecular weight of 340.71 g/mol. Its IUPAC name is 6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride
PubChem CID87855093
Molecular FormulaC12H16Cl3N3S
Molecular Weight340.71 g/mol
Exact Mass339.01
IUPAC Name6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride
SMILESCl.Cl.Clc1cc2sccc2c(NC2CCNCC2)n1
InChIInChI=1S/C12H14ClN3S.2ClH/c13-11-7-10-9(3-6-17-10)12(16-11)15-8-1-4-14-5-2-8;;/h3,6-8,14H,1-2,4-5H2,(H,15,16);2*1H
InChIKeyXHMSQRWQWKAMFV-UHFFFAOYSA-N
XLogP3.96
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.71
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride?
The IUPAC name of 6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride (CID 87855093) is 6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride.
What is the SMILES notation for 6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride?
The canonical SMILES for 6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride is Cl.Cl.Clc1cc2sccc2c(NC2CCNCC2)n1.
What is the InChIKey of 6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride?
The InChIKey is XHMSQRWQWKAMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S.2ClH/c13-11-7-10-9(3-6-17-10)12(16-11)15-8-1-4-14-5-2-8;;/h3,6-8,14H,1-2,4-5H2,(H,15,16);2*1H.
What are the key properties of 6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride?
6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride has a molecular weight of 340.71 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine;dihydrochloride is sourced from PubChem (CID 87855093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).