N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C19H17ClN4O4S — CID 90530358

About N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 90530358) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 90530358
• Molecular Formula: C19H17ClN4O4S
• Molecular Weight: 432.89 g/mol
• Exact Mass: 432.07
• IUPAC Name: N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)COc2ccc(Cl)cc2)CC3)no1
• InChI: InChI=1S/C19H17ClN4O4S/c1-11-8-15(23-28-11)18(26)22-19-21-14-6-7-24(9-16(14)29-19)17(25)10-27-13-4-2-12(20)3-5-13/h2-5,8H,6-7,9-10H2,1H3,(H,21,22,26)
• InChIKey: GXIMYKMCHVEENY-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.89
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 90530358) is N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)COc2ccc(Cl)cc2)CC3)no1.

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

The InChIKey is GXIMYKMCHVEENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-11-8-15(23-28-11)18(26)22-19-21-14-6-7-24(9-16(14)29-19)17(25)10-27-13-4-2-12(20)3-5-13/h2-5,8H,6-7,9-10H2,1H3,(H,21,22,26).

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

N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 432.89 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90530358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).