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

C14H21N5O2S — CID 20893146

IUPACN-(3-methylbutyl)-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)NCCC(C)C)sc2n1
InChIInChI=1S/C14H21N5O2S/c1-9(2)5-6-15-11(20)8-18(4)14-17-19-12(21)7-10(3)16-13(19)22-14/h7,9H,5-6,8H2,1-4H3,(H,15,20)
InChIKeyUIKDWGVWNGGDGN-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.06
Rot. Bonds6

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

N-(3-methylbutyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893146) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID20893146
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-(3-methylbutyl)-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)NCCC(C)C)sc2n1
InChIInChI=1S/C14H21N5O2S/c1-9(2)5-6-15-11(20)8-18(4)14-17-19-12(21)7-10(3)16-13(19)22-14/h7,9H,5-6,8H2,1-4H3,(H,15,20)
InChIKeyUIKDWGVWNGGDGN-UHFFFAOYSA-N
XLogP1.06
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893146) is N-(3-methylbutyl)-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-(3-methylbutyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-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)NCCC(C)C)sc2n1.
What is the InChIKey of N-(3-methylbutyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is UIKDWGVWNGGDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-9(2)5-6-15-11(20)8-18(4)14-17-19-12(21)7-10(3)16-13(19)22-14/h7,9H,5-6,8H2,1-4H3,(H,15,20).
What are the key properties of N-(3-methylbutyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
N-(3-methylbutyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 323.42 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).