2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide

C25H26N4O4S — CID 88561541

About 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide

2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 88561541) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 88561541
• Molecular Formula: C25H26N4O4S
• Molecular Weight: 478.57 g/mol
• Exact Mass: 478.17
• IUPAC Name: 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide
• SMILES: CC1Oc2ccc(C(=O)N[C@H](C)c3cccc(C(=O)Nc4nc5c(s4)CN(C)CC5)c3)cc2O1
• InChI: InChI=1S/C25H26N4O4S/c1-14(26-23(30)18-7-8-20-21(12-18)33-15(2)32-20)16-5-4-6-17(11-16)24(31)28-25-27-19-9-10-29(3)13-22(19)34-25/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,26,30)(H,27,28,31)/t14-,15?/m1/s1
• InChIKey: QAAXTRGOENWACK-GICMACPYSA-N
• XLogP: 3.99
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.57
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 88561541) is 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide is CC1Oc2ccc(C(=O)N[C@H](C)c3cccc(C(=O)Nc4nc5c(s4)CN(C)CC5)c3)cc2O1.

What is the InChIKey of 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is QAAXTRGOENWACK-GICMACPYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-14(26-23(30)18-7-8-20-21(12-18)33-15(2)32-20)16-5-4-6-17(11-16)24(31)28-25-27-19-9-10-29(3)13-22(19)34-25/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,26,30)(H,27,28,31)/t14-,15?/m1/s1.

What are the key properties of 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide?

2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 88561541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).