2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C15H20N4OS — CID 18156032

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN1CCc2sccc2C1
InChIInChI=1S/C15H20N4OS/c1-11(2)19-14(3-6-16-19)17-15(20)10-18-7-4-13-12(9-18)5-8-21-13/h3,5-6,8,11H,4,7,9-10H2,1-2H3,(H,17,20)
InChIKeyPQOWJVLUVQKKCY-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.52
Rot. Bonds4

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 18156032) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID18156032
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN1CCc2sccc2C1
InChIInChI=1S/C15H20N4OS/c1-11(2)19-14(3-6-16-19)17-15(20)10-18-7-4-13-12(9-18)5-8-21-13/h3,5-6,8,11H,4,7,9-10H2,1-2H3,(H,17,20)
InChIKeyPQOWJVLUVQKKCY-UHFFFAOYSA-N
XLogP2.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 18156032) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)CN1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is PQOWJVLUVQKKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11(2)19-14(3-6-16-19)17-15(20)10-18-7-4-13-12(9-18)5-8-21-13/h3,5-6,8,11H,4,7,9-10H2,1-2H3,(H,17,20).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 18156032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).