(3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C16H21N3OS — CID 114597600

IUPAC(3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2sc3cccnc3c2N)C1
InChIInChI=1S/C16H21N3OS/c1-9-7-10(2)11(3)19(8-9)16(20)15-13(17)14-12(21-15)5-4-6-18-14/h4-6,9-11H,7-8,17H2,1-3H3
InChIKeyTVMVIHCDTSRQSQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.39
Rot. Bonds1

About (3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114597600) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114597600
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2sc3cccnc3c2N)C1
InChIInChI=1S/C16H21N3OS/c1-9-7-10(2)11(3)19(8-9)16(20)15-13(17)14-12(21-15)5-4-6-18-14/h4-6,9-11H,7-8,17H2,1-3H3
InChIKeyTVMVIHCDTSRQSQ-UHFFFAOYSA-N
XLogP3.39
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114597600) is (3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2sc3cccnc3c2N)C1.
What is the InChIKey of (3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is TVMVIHCDTSRQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-9-7-10(2)11(3)19(8-9)16(20)15-13(17)14-12(21-15)5-4-6-18-14/h4-6,9-11H,7-8,17H2,1-3H3.
What are the key properties of (3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 303.43 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114597600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).