N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C16H15ClFN3O2S — CID 16868328

IUPACN-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFN3O2S/c1-2-9-6-15(23)21-11(8-24-16(21)20-9)7-14(22)19-10-3-4-13(18)12(17)5-10/h3-6,11H,2,7-8H2,1H3,(H,19,22)
InChIKeyQZUHYIBCCROAOU-UHFFFAOYSA-N
MW367.83 g/mol
LogP3.27
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868328) has the molecular formula C16H15ClFN3O2S and a molecular weight of 367.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868328
Molecular FormulaC16H15ClFN3O2S
Molecular Weight367.83 g/mol
Exact Mass367.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFN3O2S/c1-2-9-6-15(23)21-11(8-24-16(21)20-9)7-14(22)19-10-3-4-13(18)12(17)5-10/h3-6,11H,2,7-8H2,1H3,(H,19,22)
InChIKeyQZUHYIBCCROAOU-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868328) is N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is QZUHYIBCCROAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2S/c1-2-9-6-15(23)21-11(8-24-16(21)20-9)7-14(22)19-10-3-4-13(18)12(17)5-10/h3-6,11H,2,7-8H2,1H3,(H,19,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 367.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).