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

C18H28N6O2S — CID 20893227

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)NCC3CCCN3CC)sc2n1
InChIInChI=1S/C18H28N6O2S/c1-4-7-13-10-16(26)24-17(20-13)27-18(21-24)22(3)12-15(25)19-11-14-8-6-9-23(14)5-2/h10,14H,4-9,11-12H2,1-3H3,(H,19,25)
InChIKeyVYZNMJDTQGXUBK-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.14
Rot. Bonds8

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893227) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID20893227
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)NCC3CCCN3CC)sc2n1
InChIInChI=1S/C18H28N6O2S/c1-4-7-13-10-16(26)24-17(20-13)27-18(21-24)22(3)12-15(25)19-11-14-8-6-9-23(14)5-2/h10,14H,4-9,11-12H2,1-3H3,(H,19,25)
InChIKeyVYZNMJDTQGXUBK-UHFFFAOYSA-N
XLogP1.14
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893227) is N-[(1-ethylpyrrolidin-2-yl)methyl]-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-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is CCCc1cc(=O)n2nc(N(C)CC(=O)NCC3CCCN3CC)sc2n1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is VYZNMJDTQGXUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-4-7-13-10-16(26)24-17(20-13)27-18(21-24)22(3)12-15(25)19-11-14-8-6-9-23(14)5-2/h10,14H,4-9,11-12H2,1-3H3,(H,19,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 392.53 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).