5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride

C12H14ClN3S — CID 18785852

IUPAC5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride
SMILESCl.Cn1cccc1C1Cc2ccsc2C(N)=N1
InChIInChI=1S/C12H13N3S.ClH/c1-15-5-2-3-10(15)9-7-8-4-6-16-11(8)12(13)14-9;/h2-6,9H,7H2,1H3,(H2,13,14);1H
InChIKeyJSAVSISEZJIHAG-UHFFFAOYSA-N
MW267.79 g/mol
LogP2.51
Rot. Bonds1

About 5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride

5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride (PubChem CID 18785852) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride.

Molecular Properties

Compound Name5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride
PubChem CID18785852
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride
SMILESCl.Cn1cccc1C1Cc2ccsc2C(N)=N1
InChIInChI=1S/C12H13N3S.ClH/c1-15-5-2-3-10(15)9-7-8-4-6-16-11(8)12(13)14-9;/h2-6,9H,7H2,1H3,(H2,13,14);1H
InChIKeyJSAVSISEZJIHAG-UHFFFAOYSA-N
XLogP2.51
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride?
The IUPAC name of 5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride (CID 18785852) is 5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride.
What is the SMILES notation for 5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride?
The canonical SMILES for 5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride is Cl.Cn1cccc1C1Cc2ccsc2C(N)=N1.
What is the InChIKey of 5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride?
The InChIKey is JSAVSISEZJIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S.ClH/c1-15-5-2-3-10(15)9-7-8-4-6-16-11(8)12(13)14-9;/h2-6,9H,7H2,1H3,(H2,13,14);1H.
What are the key properties of 5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride?
5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride has a molecular weight of 267.79 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrol-2-yl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 18785852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).