N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide

C25H28N4O4S — CID 134474992

About N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide

N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide (PubChem CID 134474992) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide
• PubChem CID: 134474992
• Molecular Formula: C25H28N4O4S
• Molecular Weight: 480.59 g/mol
• Exact Mass: 480.18
• IUPAC Name: N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide
• SMILES: COc1ccc(C(=O)N[C@H](CO)c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1C
• InChI: InChI=1S/C25H28N4O4S/c1-15-11-18(7-8-21(15)33-3)23(31)26-20(14-30)16-5-4-6-17(12-16)24(32)28-25-27-19-9-10-29(2)13-22(19)34-25/h4-8,11-12,20,30H,9-10,13-14H2,1-3H3,(H,26,31)(H,27,28,32)/t20-/m1/s1
• InChIKey: USZIBGLTNQYCLG-HXUWFJFHSA-N
• XLogP: 3.16
• TPSA: 103.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.59
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide (CID 134474992) is N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide.

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

The canonical SMILES for N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide is COc1ccc(C(=O)N[C@H](CO)c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1C.

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

The InChIKey is USZIBGLTNQYCLG-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-15-11-18(7-8-21(15)33-3)23(31)26-20(14-30)16-5-4-6-17(12-16)24(32)28-25-27-19-9-10-29(2)13-22(19)34-25/h4-8,11-12,20,30H,9-10,13-14H2,1-3H3,(H,26,31)(H,27,28,32)/t20-/m1/s1.

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

N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide has a molecular weight of 480.59 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-hydroxy-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]ethyl]-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 134474992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).