N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide

C16H16ClN5O2S — CID 55853646

About N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide

N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (PubChem CID 55853646) has the molecular formula C16H16ClN5O2S and a molecular weight of 377.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
• PubChem CID: 55853646
• Molecular Formula: C16H16ClN5O2S
• Molecular Weight: 377.86 g/mol
• Exact Mass: 377.07
• IUPAC Name: N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
• SMILES: Cc1nn2c(=O)cc(CN(C)CC(=O)Nc3cccc(Cl)c3)nc2s1
• InChI: InChI=1S/C16H16ClN5O2S/c1-10-20-22-15(24)7-13(19-16(22)25-10)8-21(2)9-14(23)18-12-5-3-4-11(17)6-12/h3-7H,8-9H2,1-2H3,(H,18,23)
• InChIKey: QSRRYSGVEJEAES-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.86
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?

The IUPAC name of N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (CID 55853646) is N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.

What is the SMILES notation for N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?

The canonical SMILES for N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is Cc1nn2c(=O)cc(CN(C)CC(=O)Nc3cccc(Cl)c3)nc2s1.

What is the InChIKey of N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?

The InChIKey is QSRRYSGVEJEAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2S/c1-10-20-22-15(24)7-13(19-16(22)25-10)8-21(2)9-14(23)18-12-5-3-4-11(17)6-12/h3-7H,8-9H2,1-2H3,(H,18,23).

What are the key properties of N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?

N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide has a molecular weight of 377.86 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is sourced from PubChem (CID 55853646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).