4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole

C15H12N4OS2 — CID 20908494

IUPAC4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CSc1nc2ncccc2[nH]1
InChIInChI=1S/C15H12N4OS2/c1-9-11(17-14(20-9)12-5-3-7-21-12)8-22-15-18-10-4-2-6-16-13(10)19-15/h2-7H,8H2,1H3,(H,16,18,19)
InChIKeyZBLVCHYCXVGYBT-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.28
Rot. Bonds4

About 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole

4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole (PubChem CID 20908494) has the molecular formula C15H12N4OS2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
PubChem CID20908494
Molecular FormulaC15H12N4OS2
Molecular Weight328.42 g/mol
Exact Mass328.05
IUPAC Name4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CSc1nc2ncccc2[nH]1
InChIInChI=1S/C15H12N4OS2/c1-9-11(17-14(20-9)12-5-3-7-21-12)8-22-15-18-10-4-2-6-16-13(10)19-15/h2-7H,8H2,1H3,(H,16,18,19)
InChIKeyZBLVCHYCXVGYBT-UHFFFAOYSA-N
XLogP4.28
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole (CID 20908494) is 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole is Cc1oc(-c2cccs2)nc1CSc1nc2ncccc2[nH]1.
What is the InChIKey of 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is ZBLVCHYCXVGYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS2/c1-9-11(17-14(20-9)12-5-3-7-21-12)8-22-15-18-10-4-2-6-16-13(10)19-15/h2-7H,8H2,1H3,(H,16,18,19).
What are the key properties of 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole?
4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 328.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 20908494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).