4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole

C13H8N4S2 — CID 154797167

IUPAC4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole
SMILESc1cc2nc(-c3csc(-c4ccsc4)n3)[nH]c2cn1
InChIInChI=1S/C13H8N4S2/c1-3-14-5-10-9(1)15-12(16-10)11-7-19-13(17-11)8-2-4-18-6-8/h1-7H,(H,15,16)
InChIKeyAUGZEKJQAWSZNR-UHFFFAOYSA-N
MW284.37 g/mol
LogP3.81
Rot. Bonds2

About 4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole

4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole (PubChem CID 154797167) has the molecular formula C13H8N4S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole
PubChem CID154797167
Molecular FormulaC13H8N4S2
Molecular Weight284.37 g/mol
Exact Mass284.02
IUPAC Name4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole
SMILESc1cc2nc(-c3csc(-c4ccsc4)n3)[nH]c2cn1
InChIInChI=1S/C13H8N4S2/c1-3-14-5-10-9(1)15-12(16-10)11-7-19-13(17-11)8-2-4-18-6-8/h1-7H,(H,15,16)
InChIKeyAUGZEKJQAWSZNR-UHFFFAOYSA-N
XLogP3.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole (CID 154797167) is 4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole is c1cc2nc(-c3csc(-c4ccsc4)n3)[nH]c2cn1.
What is the InChIKey of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is AUGZEKJQAWSZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4S2/c1-3-14-5-10-9(1)15-12(16-10)11-7-19-13(17-11)8-2-4-18-6-8/h1-7H,(H,15,16).
What are the key properties of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole?
4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 284.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 154797167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).