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

C25H24N6O2S2 — CID 84973073

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

N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 84973073) has the molecular formula C25H24N6O2S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 84973073
• Molecular Formula: C25H24N6O2S2
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.14
• IUPAC Name: N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1cc(-c2ncc(C(=O)NCc3cccc(C(=O)Nc4nc5c(s4)CN(C)CC5)c3)s2)ccn1
• InChI: InChI=1S/C25H24N6O2S2/c1-15-10-18(6-8-26-15)24-28-13-20(34-24)23(33)27-12-16-4-3-5-17(11-16)22(32)30-25-29-19-7-9-31(2)14-21(19)35-25/h3-6,8,10-11,13H,7,9,12,14H2,1-2H3,(H,27,33)(H,29,30,32)
• InChIKey: YHCZHQJPMPRPBP-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 100.11 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	504.64
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxamide (CID 84973073) is N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxamide is Cc1cc(-c2ncc(C(=O)NCc3cccc(C(=O)Nc4nc5c(s4)CN(C)CC5)c3)s2)ccn1.

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

The InChIKey is YHCZHQJPMPRPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S2/c1-15-10-18(6-8-26-15)24-28-13-20(34-24)23(33)27-12-16-4-3-5-17(11-16)22(32)30-25-29-19-7-9-31(2)14-21(19)35-25/h3-6,8,10-11,13H,7,9,12,14H2,1-2H3,(H,27,33)(H,29,30,32).

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

N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84973073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).