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

C15H23N5O2S — CID 20893243

IUPACN-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCCCCNC(=O)CN(C)c1nn2c(=O)cc(CCC)nc2s1
InChIInChI=1S/C15H23N5O2S/c1-4-6-8-16-12(21)10-19(3)15-18-20-13(22)9-11(7-5-2)17-14(20)23-15/h9H,4-8,10H2,1-3H3,(H,16,21)
InChIKeyDVWVNTVSGPGVLX-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.46
Rot. Bonds8

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

N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893243) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID20893243
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCCCCNC(=O)CN(C)c1nn2c(=O)cc(CCC)nc2s1
InChIInChI=1S/C15H23N5O2S/c1-4-6-8-16-12(21)10-19(3)15-18-20-13(22)9-11(7-5-2)17-14(20)23-15/h9H,4-8,10H2,1-3H3,(H,16,21)
InChIKeyDVWVNTVSGPGVLX-UHFFFAOYSA-N
XLogP1.46
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893243) is N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is CCCCNC(=O)CN(C)c1nn2c(=O)cc(CCC)nc2s1.
What is the InChIKey of N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is DVWVNTVSGPGVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-4-6-8-16-12(21)10-19(3)15-18-20-13(22)9-11(7-5-2)17-14(20)23-15/h9H,4-8,10H2,1-3H3,(H,16,21).
What are the key properties of N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 337.45 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).