1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide

C18H19N5O2S — CID 20893092

IUPAC1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC3C(=O)Nc3ccccc3C)sc2n1
InChIInChI=1S/C18H19N5O2S/c1-11-6-3-4-7-13(11)20-16(25)14-8-5-9-22(14)18-21-23-15(24)10-12(2)19-17(23)26-18/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,20,25)
InChIKeyJDMOBGUWLKNGMJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.38
Rot. Bonds3

About 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 20893092) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID20893092
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC3C(=O)Nc3ccccc3C)sc2n1
InChIInChI=1S/C18H19N5O2S/c1-11-6-3-4-7-13(11)20-16(25)14-8-5-9-22(14)18-21-23-15(24)10-12(2)19-17(23)26-18/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,20,25)
InChIKeyJDMOBGUWLKNGMJ-UHFFFAOYSA-N
XLogP2.38
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide (CID 20893092) is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide is Cc1cc(=O)n2nc(N3CCCC3C(=O)Nc3ccccc3C)sc2n1.
What is the InChIKey of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is JDMOBGUWLKNGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-11-6-3-4-7-13(11)20-16(25)14-8-5-9-22(14)18-21-23-15(24)10-12(2)19-17(23)26-18/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,20,25).
What are the key properties of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 20893092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).