N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide

C19H14ClFN4O2S — CID 10319773

IUPACN-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N2N=C(c3ccccc3Cl)SC2=N[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H14ClFN4O2S/c1-10(26)22-16-15(11-6-8-12(21)9-7-11)23-19-25(18(16)27)24-17(28-19)13-4-2-3-5-14(13)20/h2-9,15-16H,1H3,(H,22,26)/t15-,16+/m1/s1
InChIKeyQVWOLJQGOJXHNL-CVEARBPZSA-N
MW416.87 g/mol
LogP3.33
Rot. Bonds3

About N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide

N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide (PubChem CID 10319773) has the molecular formula C19H14ClFN4O2S and a molecular weight of 416.87 g/mol. Its IUPAC name is N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide
PubChem CID10319773
Molecular FormulaC19H14ClFN4O2S
Molecular Weight416.87 g/mol
Exact Mass416.05
IUPAC NameN-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N2N=C(c3ccccc3Cl)SC2=N[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H14ClFN4O2S/c1-10(26)22-16-15(11-6-8-12(21)9-7-11)23-19-25(18(16)27)24-17(28-19)13-4-2-3-5-14(13)20/h2-9,15-16H,1H3,(H,22,26)/t15-,16+/m1/s1
InChIKeyQVWOLJQGOJXHNL-CVEARBPZSA-N
XLogP3.33
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide with MolForge

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Related Compounds

2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 141454227
6-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
CID 141534025
N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide
CID 9982542
N-[(6S,7R)-7-(4-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide
CID 10475000
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-4-fluorobenzamide
CID 50777872
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(trifluoromethyl)benzamide
CID 50777892
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-3-fluoro-4-methylbenzamide
CID 50777893
3-chloro-4-fluoro-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
CID 50777899
N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-4-fluorobenzamide
CID 50777910
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-fluorobenzamide
CID 50777925
N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-fluorobenzamide
CID 50777964
3-Chloro-4-fluoro-N-({5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl)benzamide
CID 50778098

Frequently Asked Questions

What is the IUPAC name of N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide?
The IUPAC name of N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide (CID 10319773) is N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide is CC(=O)N[C@@H]1C(=O)N2N=C(c3ccccc3Cl)SC2=N[C@@H]1c1ccc(F)cc1.
What is the InChIKey of N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide?
The InChIKey is QVWOLJQGOJXHNL-CVEARBPZSA-N. The full InChI is InChI=1S/C19H14ClFN4O2S/c1-10(26)22-16-15(11-6-8-12(21)9-7-11)23-19-25(18(16)27)24-17(28-19)13-4-2-3-5-14(13)20/h2-9,15-16H,1H3,(H,22,26)/t15-,16+/m1/s1.
What are the key properties of N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide?
N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide has a molecular weight of 416.87 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S,7R)-2-(2-chlorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 10319773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).