6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

C16H21N3OS — CID 43260602

IUPAC6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1nc(N2CCc3sccc3C2)ccc1N
InChIInChI=1S/C16H21N3OS/c1-16(2,3)20-15-12(17)4-5-14(18-15)19-8-6-13-11(10-19)7-9-21-13/h4-5,7,9H,6,8,10,17H2,1-3H3
InChIKeyJYUUWUIAEPYWED-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.47
Rot. Bonds2

About 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (PubChem CID 43260602) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
PubChem CID43260602
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1nc(N2CCc3sccc3C2)ccc1N
InChIInChI=1S/C16H21N3OS/c1-16(2,3)20-15-12(17)4-5-14(18-15)19-8-6-13-11(10-19)7-9-21-13/h4-5,7,9H,6,8,10,17H2,1-3H3
InChIKeyJYUUWUIAEPYWED-UHFFFAOYSA-N
XLogP3.47
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (CID 43260602) is 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is CC(C)(C)Oc1nc(N2CCc3sccc3C2)ccc1N.
What is the InChIKey of 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The InChIKey is JYUUWUIAEPYWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-16(2,3)20-15-12(17)4-5-14(18-15)19-8-6-13-11(10-19)7-9-21-13/h4-5,7,9H,6,8,10,17H2,1-3H3.
What are the key properties of 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine has a molecular weight of 303.43 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 43260602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).