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

C25H26N6O2S2 — CID 88560628

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

5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 88560628) has the molecular formula C25H26N6O2S2 and a molecular weight of 506.66 g/mol. Its IUPAC name is 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
• PubChem CID: 88560628
• Molecular Formula: C25H26N6O2S2
• Molecular Weight: 506.66 g/mol
• Exact Mass: 506.16
• IUPAC Name: 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
• SMILES: CC1SC(c2ccncc2)=NC1C(=O)NCc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1
• InChI: InChI=1S/C25H26N6O2S2/c1-15-21(29-24(34-15)17-6-9-26-10-7-17)23(33)27-13-16-4-3-5-18(12-16)22(32)30-25-28-19-8-11-31(2)14-20(19)35-25/h3-7,9-10,12,15,21H,8,11,13-14H2,1-2H3,(H,27,33)(H,28,30,32)
• InChIKey: KDWIXXDFWSJJOJ-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 99.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.66
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 88560628) is 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide is CC1SC(c2ccncc2)=NC1C(=O)NCc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1.

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

The InChIKey is KDWIXXDFWSJJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S2/c1-15-21(29-24(34-15)17-6-9-26-10-7-17)23(33)27-13-16-4-3-5-18(12-16)22(32)30-25-28-19-8-11-31(2)14-20(19)35-25/h3-7,9-10,12,15,21H,8,11,13-14H2,1-2H3,(H,27,33)(H,28,30,32).

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

5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 506.66 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 88560628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).