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

C14H19N5O2S — CID 24561312

IUPACN,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(=O)n2nc(CN3CCCC3C(=O)N(C)C)sc2n1
InChIInChI=1S/C14H19N5O2S/c1-9-7-12(20)19-14(15-9)22-11(16-19)8-18-6-4-5-10(18)13(21)17(2)3/h7,10H,4-6,8H2,1-3H3
InChIKeyOJFPEFDMWMYGHB-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.51
Rot. Bonds3

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

N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 24561312) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID24561312
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(=O)n2nc(CN3CCCC3C(=O)N(C)C)sc2n1
InChIInChI=1S/C14H19N5O2S/c1-9-7-12(20)19-14(15-9)22-11(16-19)8-18-6-4-5-10(18)13(21)17(2)3/h7,10H,4-6,8H2,1-3H3
InChIKeyOJFPEFDMWMYGHB-UHFFFAOYSA-N
XLogP0.51
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide (CID 24561312) is N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide is Cc1cc(=O)n2nc(CN3CCCC3C(=O)N(C)C)sc2n1.
What is the InChIKey of N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is OJFPEFDMWMYGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-9-7-12(20)19-14(15-9)22-11(16-19)8-18-6-4-5-10(18)13(21)17(2)3/h7,10H,4-6,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24561312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).