2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine

C11H13N3S — CID 81450505

IUPAC2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine
SMILESCC1(c2nc3ccncc3[nH]2)CCCS1
InChIInChI=1S/C11H13N3S/c1-11(4-2-6-15-11)10-13-8-3-5-12-7-9(8)14-10/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyXDQVXJQPMKYHRD-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.70
Rot. Bonds1

About 2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine

2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 81450505) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID81450505
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine
SMILESCC1(c2nc3ccncc3[nH]2)CCCS1
InChIInChI=1S/C11H13N3S/c1-11(4-2-6-15-11)10-13-8-3-5-12-7-9(8)14-10/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyXDQVXJQPMKYHRD-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine (CID 81450505) is 2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine is CC1(c2nc3ccncc3[nH]2)CCCS1.
What is the InChIKey of 2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is XDQVXJQPMKYHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-11(4-2-6-15-11)10-13-8-3-5-12-7-9(8)14-10/h3,5,7H,2,4,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine?
2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 219.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthiolan-2-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 81450505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).