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

C16H17N5O2S — CID 6625460

IUPACN-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCc1cc(=O)n2nc(N(C)CC(=O)NCc3ccccc3)sc2n1
InChIInChI=1S/C16H17N5O2S/c1-11-8-14(23)21-15(18-11)24-16(19-21)20(2)10-13(22)17-9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,17,22)
InChIKeyRVXMJQSKPXOQSN-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.21
Rot. Bonds5

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

N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 6625460) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID6625460
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCc1cc(=O)n2nc(N(C)CC(=O)NCc3ccccc3)sc2n1
InChIInChI=1S/C16H17N5O2S/c1-11-8-14(23)21-15(18-11)24-16(19-21)20(2)10-13(22)17-9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,17,22)
InChIKeyRVXMJQSKPXOQSN-UHFFFAOYSA-N
XLogP1.21
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 6625460) is N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is Cc1cc(=O)n2nc(N(C)CC(=O)NCc3ccccc3)sc2n1.
What is the InChIKey of N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is RVXMJQSKPXOQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-11-8-14(23)21-15(18-11)24-16(19-21)20(2)10-13(22)17-9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,17,22).
What are the key properties of N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 6625460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).