1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone

C12H13N3OS — CID 53145215

IUPAC1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H13N3OS/c16-12(6-9-2-1-5-17-9)15-4-3-10-11(7-15)14-8-13-10/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChIKeyOKVCGAMUYCOSHM-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.60
Rot. Bonds2

About 1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone

1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone (PubChem CID 53145215) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone
PubChem CID53145215
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H13N3OS/c16-12(6-9-2-1-5-17-9)15-4-3-10-11(7-15)14-8-13-10/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChIKeyOKVCGAMUYCOSHM-UHFFFAOYSA-N
XLogP1.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone (CID 53145215) is 1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCc2nc[nH]c2C1.
What is the InChIKey of 1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone?
The InChIKey is OKVCGAMUYCOSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c16-12(6-9-2-1-5-17-9)15-4-3-10-11(7-15)14-8-13-10/h1-2,5,8H,3-4,6-7H2,(H,13,14).
What are the key properties of 1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone?
1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone has a molecular weight of 247.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 53145215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).