N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C19H20ClN3O3S2 — CID 55599394

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 55599394) has the molecular formula C19H20ClN3O3S2 and a molecular weight of 437.97 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
• PubChem CID: 55599394
• Molecular Formula: C19H20ClN3O3S2
• Molecular Weight: 437.97 g/mol
• Exact Mass: 437.06
• IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
• SMILES: CC(C)COc1ccc(NC(=O)CSCc2cc(=O)n3ccsc3n2)cc1Cl
• InChI: InChI=1S/C19H20ClN3O3S2/c1-12(2)9-26-16-4-3-13(7-15(16)20)21-17(24)11-27-10-14-8-18(25)23-5-6-28-19(23)22-14/h3-8,12H,9-11H2,1-2H3,(H,21,24)
• InChIKey: UGTDQSPFNZABSI-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.97
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 55599394) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is CC(C)COc1ccc(NC(=O)CSCc2cc(=O)n3ccsc3n2)cc1Cl.

What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The InChIKey is UGTDQSPFNZABSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S2/c1-12(2)9-26-16-4-3-13(7-15(16)20)21-17(24)11-27-10-14-8-18(25)23-5-6-28-19(23)22-14/h3-8,12H,9-11H2,1-2H3,(H,21,24).

What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 437.97 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 55599394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).