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

C16H16FN5O2S — CID 20893166

IUPACN-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCc1cc(=O)n2nc(N(C)CC(=O)NCc3cccc(F)c3)sc2n1
InChIInChI=1S/C16H16FN5O2S/c1-10-6-14(24)22-15(19-10)25-16(20-22)21(2)9-13(23)18-8-11-4-3-5-12(17)7-11/h3-7H,8-9H2,1-2H3,(H,18,23)
InChIKeyCDWPLBDOHZJNHT-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.35
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893166) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID20893166
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCc1cc(=O)n2nc(N(C)CC(=O)NCc3cccc(F)c3)sc2n1
InChIInChI=1S/C16H16FN5O2S/c1-10-6-14(24)22-15(19-10)25-16(20-22)21(2)9-13(23)18-8-11-4-3-5-12(17)7-11/h3-7H,8-9H2,1-2H3,(H,18,23)
InChIKeyCDWPLBDOHZJNHT-UHFFFAOYSA-N
XLogP1.35
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893166) is N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is Cc1cc(=O)n2nc(N(C)CC(=O)NCc3cccc(F)c3)sc2n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is CDWPLBDOHZJNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c1-10-6-14(24)22-15(19-10)25-16(20-22)21(2)9-13(23)18-8-11-4-3-5-12(17)7-11/h3-7H,8-9H2,1-2H3,(H,18,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 361.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).