[2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone

C21H24N4O2S — CID 142576190

About [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone

[2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone (PubChem CID 142576190) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
• PubChem CID: 142576190
• Molecular Formula: C21H24N4O2S
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.16
• IUPAC Name: [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
• SMILES: O=C(c1cc2ccccc2[nH]1)N1CCc2nc(NCC(CO)C3CC3)sc2C1
• InChI: InChI=1S/C21H24N4O2S/c26-12-15(13-5-6-13)10-22-21-24-17-7-8-25(11-19(17)28-21)20(27)18-9-14-3-1-2-4-16(14)23-18/h1-4,9,13,15,23,26H,5-8,10-12H2,(H,22,24)
• InChIKey: LUOXUAZOPCWHSJ-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 81.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

The IUPAC name of [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone (CID 142576190) is [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone.

What is the SMILES notation for [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

The canonical SMILES for [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCc2nc(NCC(CO)C3CC3)sc2C1.

What is the InChIKey of [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

The InChIKey is LUOXUAZOPCWHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-12-15(13-5-6-13)10-22-21-24-17-7-8-25(11-19(17)28-21)20(27)18-9-14-3-1-2-4-16(14)23-18/h1-4,9,13,15,23,26H,5-8,10-12H2,(H,22,24).

What are the key properties of [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

[2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone has a molecular weight of 396.52 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 142576190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).