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

C14H21N5O2S — CID 20893206

IUPAC2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nn2c(=O)cc(CCC)nc2s1
InChIInChI=1S/C14H21N5O2S/c1-4-6-10-8-12(21)19-13(16-10)22-14(17-19)18(3)9-11(20)15-7-5-2/h8H,4-7,9H2,1-3H3,(H,15,20)
InChIKeyLOZKTTMSKLKJDT-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.07
Rot. Bonds7

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

2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide (PubChem CID 20893206) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide
PubChem CID20893206
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nn2c(=O)cc(CCC)nc2s1
InChIInChI=1S/C14H21N5O2S/c1-4-6-10-8-12(21)19-13(16-10)22-14(17-19)18(3)9-11(20)15-7-5-2/h8H,4-7,9H2,1-3H3,(H,15,20)
InChIKeyLOZKTTMSKLKJDT-UHFFFAOYSA-N
XLogP1.07
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide (CID 20893206) is 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide is CCCNC(=O)CN(C)c1nn2c(=O)cc(CCC)nc2s1.
What is the InChIKey of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide?
The InChIKey is LOZKTTMSKLKJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-4-6-10-8-12(21)19-13(16-10)22-14(17-19)18(3)9-11(20)15-7-5-2/h8H,4-7,9H2,1-3H3,(H,15,20).
What are the key properties of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide?
2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide has a molecular weight of 323.42 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide is sourced from PubChem (CID 20893206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).