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

C18H20FN5O2S — CID 20893252

IUPACN-[(2-fluorophenyl)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)NCc3ccccc3F)sc2n1
InChIInChI=1S/C18H20FN5O2S/c1-3-6-13-9-16(26)24-17(21-13)27-18(22-24)23(2)11-15(25)20-10-12-7-4-5-8-14(12)19/h4-5,7-9H,3,6,10-11H2,1-2H3,(H,20,25)
InChIKeyLGZCCIPQXGJVAZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.00
Rot. Bonds7

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

N-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893252) has the molecular formula C18H20FN5O2S and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID20893252
Molecular FormulaC18H20FN5O2S
Molecular Weight389.46 g/mol
Exact Mass389.13
IUPAC NameN-[(2-fluorophenyl)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)NCc3ccccc3F)sc2n1
InChIInChI=1S/C18H20FN5O2S/c1-3-6-13-9-16(26)24-17(21-13)27-18(22-24)23(2)11-15(25)20-10-12-7-4-5-8-14(12)19/h4-5,7-9H,3,6,10-11H2,1-2H3,(H,20,25)
InChIKeyLGZCCIPQXGJVAZ-UHFFFAOYSA-N
XLogP2.00
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893252) is N-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)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)NCc3ccccc3F)sc2n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is LGZCCIPQXGJVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2S/c1-3-6-13-9-16(26)24-17(21-13)27-18(22-24)23(2)11-15(25)20-10-12-7-4-5-8-14(12)19/h4-5,7-9H,3,6,10-11H2,1-2H3,(H,20,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
N-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).