6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one

C20H21N5O2S — CID 126940172

About 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one

6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one (PubChem CID 126940172) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
• PubChem CID: 126940172
• Molecular Formula: C20H21N5O2S
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.14
• IUPAC Name: 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
• SMILES: O=c1ccc(-c2cccnc2)nn1C1COCC1Nc1nc2c(s1)CCCC2
• InChI: InChI=1S/C20H21N5O2S/c26-19-8-7-14(13-4-3-9-21-10-13)24-25(19)17-12-27-11-16(17)23-20-22-15-5-1-2-6-18(15)28-20/h3-4,7-10,16-17H,1-2,5-6,11-12H2,(H,22,23)
• InChIKey: YSYNATBYQQJXDW-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?

The IUPAC name of 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one (CID 126940172) is 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one.

What is the SMILES notation for 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?

The canonical SMILES for 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one is O=c1ccc(-c2cccnc2)nn1C1COCC1Nc1nc2c(s1)CCCC2.

What is the InChIKey of 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?

The InChIKey is YSYNATBYQQJXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-19-8-7-14(13-4-3-9-21-10-13)24-25(19)17-12-27-11-16(17)23-20-22-15-5-1-2-6-18(15)28-20/h3-4,7-10,16-17H,1-2,5-6,11-12H2,(H,22,23).

What are the key properties of 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?

6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one has a molecular weight of 395.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126940172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).