2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane

C24H28N6O4S2 — CID 158372340

About 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane

2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane (PubChem CID 158372340) has the molecular formula C24H28N6O4S2 and a molecular weight of 528.66 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane.

Molecular Properties

• Compound Name: 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane
• PubChem CID: 158372340
• Molecular Formula: C24H28N6O4S2
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.16
• IUPAC Name: 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane
• SMILES: C[C@H](O)Cn1cc(-c2nc(C(=O)Cc3cc4sc(N5CCOCC5)nc4nc3C3CC3)co2)cn1.S
• InChI: InChI=1S/C24H26N6O4S.H2S/c1-14(31)11-30-12-17(10-25-30)23-26-18(13-34-23)19(32)8-16-9-20-22(27-21(16)15-2-3-15)28-24(35-20)29-4-6-33-7-5-29;/h9-10,12-15,31H,2-8,11H2,1H3;1H2/t14-;/m0./s1
• InChIKey: GUTOANCDKLHFHF-UQKRIMTDSA-N
• XLogP: 3.18
• TPSA: 119.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane?

The IUPAC name of 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane (CID 158372340) is 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane.

What is the SMILES notation for 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane?

The canonical SMILES for 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane is C[C@H](O)Cn1cc(-c2nc(C(=O)Cc3cc4sc(N5CCOCC5)nc4nc3C3CC3)co2)cn1.S.

What is the InChIKey of 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane?

The InChIKey is GUTOANCDKLHFHF-UQKRIMTDSA-N. The full InChI is InChI=1S/C24H26N6O4S.H2S/c1-14(31)11-30-12-17(10-25-30)23-26-18(13-34-23)19(32)8-16-9-20-22(27-21(16)15-2-3-15)28-24(35-20)29-4-6-33-7-5-29;/h9-10,12-15,31H,2-8,11H2,1H3;1H2/t14-;/m0./s1.

What are the key properties of 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane?

2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane has a molecular weight of 528.66 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane is sourced from PubChem (CID 158372340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).