[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone

C23H25N7O3S — CID 71667710

About [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone

[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 71667710) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone
• PubChem CID: 71667710
• Molecular Formula: C23H25N7O3S
• Molecular Weight: 479.57 g/mol
• Exact Mass: 479.17
• IUPAC Name: [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone
• SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(C(=O)N2CCCC(O)C2)o1
• InChI: InChI=1S/C23H25N7O3S/c1-13(2)26-18-9-20(27-14-5-6-17-19(8-14)34-12-25-17)24-10-16(18)21-28-29-22(33-21)23(32)30-7-3-4-15(31)11-30/h5-6,8-10,12-13,15,31H,3-4,7,11H2,1-2H3,(H2,24,26,27)
• InChIKey: KYWISAMNQYYCDH-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 129.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.57
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone?

The IUPAC name of [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 71667710) is [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone.

What is the SMILES notation for [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone?

The canonical SMILES for [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone is CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(C(=O)N2CCCC(O)C2)o1.

What is the InChIKey of [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone?

The InChIKey is KYWISAMNQYYCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-13(2)26-18-9-20(27-14-5-6-17-19(8-14)34-12-25-17)24-10-16(18)21-28-29-22(33-21)23(32)30-7-3-4-15(31)11-30/h5-6,8-10,12-13,15,31H,3-4,7,11H2,1-2H3,(H2,24,26,27).

What are the key properties of [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone?

[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 479.57 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 71667710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).