(3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C12H13N3OS — CID 53145224

IUPAC(3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1ccsc1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H13N3OS/c1-8-3-5-17-11(8)12(16)15-4-2-9-10(6-15)14-7-13-9/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyDYQMPRRYCGPRGN-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.98
Rot. Bonds1

About (3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 53145224) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID53145224
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name(3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1ccsc1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H13N3OS/c1-8-3-5-17-11(8)12(16)15-4-2-9-10(6-15)14-7-13-9/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyDYQMPRRYCGPRGN-UHFFFAOYSA-N
XLogP1.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 53145224) is (3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cc1ccsc1C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of (3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is DYQMPRRYCGPRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-3-5-17-11(8)12(16)15-4-2-9-10(6-15)14-7-13-9/h3,5,7H,2,4,6H2,1H3,(H,13,14).
What are the key properties of (3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 247.32 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 53145224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).