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

C13H16N4OS — CID 71934228

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCn1nccc1NC(=O)CN1CCc2sccc2C1
InChIInChI=1S/C13H16N4OS/c1-16-12(2-5-14-16)15-13(18)9-17-6-3-11-10(8-17)4-7-19-11/h2,4-5,7H,3,6,8-9H2,1H3,(H,15,18)
InChIKeyPCEGOWACRQXXGD-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.48
Rot. Bonds3

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide (PubChem CID 71934228) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide
PubChem CID71934228
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCn1nccc1NC(=O)CN1CCc2sccc2C1
InChIInChI=1S/C13H16N4OS/c1-16-12(2-5-14-16)15-13(18)9-17-6-3-11-10(8-17)4-7-19-11/h2,4-5,7H,3,6,8-9H2,1H3,(H,15,18)
InChIKeyPCEGOWACRQXXGD-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.48
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-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide (CID 71934228) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide is Cn1nccc1NC(=O)CN1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The InChIKey is PCEGOWACRQXXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16-12(2-5-14-16)15-13(18)9-17-6-3-11-10(8-17)4-7-19-11/h2,4-5,7H,3,6,8-9H2,1H3,(H,15,18).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide has a molecular weight of 276.37 g/mol, XLogP of 1.48, 3 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-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 71934228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).