N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine

C23H26N6OS2 — CID 145380303

About N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine

N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine (PubChem CID 145380303) has the molecular formula C23H26N6OS2 and a molecular weight of 466.64 g/mol. Its IUPAC name is N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine.

Molecular Properties

• Compound Name: N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine
• PubChem CID: 145380303
• Molecular Formula: C23H26N6OS2
• Molecular Weight: 466.64 g/mol
• Exact Mass: 466.16
• IUPAC Name: N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine
• SMILES: CNSc1ccc(-c2ccc3nc(N4CCC(c5nc(C(C)C)no5)CC4)sc3n2)cc1
• InChI: InChI=1S/C23H26N6OS2/c1-14(2)20-27-21(30-28-20)16-10-12-29(13-11-16)23-26-19-9-8-18(25-22(19)31-23)15-4-6-17(7-5-15)32-24-3/h4-9,14,16,24H,10-13H2,1-3H3
• InChIKey: YDIIONODALNSAM-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 79.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.64
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine?

The IUPAC name of N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine (CID 145380303) is N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine.

What is the SMILES notation for N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine?

The canonical SMILES for N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine is CNSc1ccc(-c2ccc3nc(N4CCC(c5nc(C(C)C)no5)CC4)sc3n2)cc1.

What is the InChIKey of N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine?

The InChIKey is YDIIONODALNSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS2/c1-14(2)20-27-21(30-28-20)16-10-12-29(13-11-16)23-26-19-9-8-18(25-22(19)31-23)15-4-6-17(7-5-15)32-24-3/h4-9,14,16,24H,10-13H2,1-3H3.

What are the key properties of N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine?

N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine has a molecular weight of 466.64 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]sulfanylmethanamine is sourced from PubChem (CID 145380303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).