2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole

C18H13N3O2S2 — CID 122536208

IUPAC2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole
SMILESO=S(c1nc2c(-c3ccccc3)cc(-c3ncco3)nc2s1)C1CC1
InChIInChI=1S/C18H13N3O2S2/c22-25(12-6-7-12)18-21-15-13(11-4-2-1-3-5-11)10-14(20-17(15)24-18)16-19-8-9-23-16/h1-5,8-10,12H,6-7H2
InChIKeyOWBLFYALIHJMTM-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.28
Rot. Bonds4

About 2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole

2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole (PubChem CID 122536208) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole
PubChem CID122536208
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC Name2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole
SMILESO=S(c1nc2c(-c3ccccc3)cc(-c3ncco3)nc2s1)C1CC1
InChIInChI=1S/C18H13N3O2S2/c22-25(12-6-7-12)18-21-15-13(11-4-2-1-3-5-11)10-14(20-17(15)24-18)16-19-8-9-23-16/h1-5,8-10,12H,6-7H2
InChIKeyOWBLFYALIHJMTM-UHFFFAOYSA-N
XLogP4.28
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole?
The IUPAC name of 2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole (CID 122536208) is 2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole?
The canonical SMILES for 2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole is O=S(c1nc2c(-c3ccccc3)cc(-c3ncco3)nc2s1)C1CC1.
What is the InChIKey of 2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole?
The InChIKey is OWBLFYALIHJMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c22-25(12-6-7-12)18-21-15-13(11-4-2-1-3-5-11)10-14(20-17(15)24-18)16-19-8-9-23-16/h1-5,8-10,12H,6-7H2.
What are the key properties of 2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole?
2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole has a molecular weight of 367.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole is sourced from PubChem (CID 122536208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).