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

C15H12FN3O2S2 — CID 20961888

IUPACN-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2S2/c16-10-1-3-11(4-2-10)17-13(20)9-22-8-12-7-14(21)19-5-6-23-15(19)18-12/h1-7H,8-9H2,(H,17,20)
InChIKeyDXIQIGHLBITUIL-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.77
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 20961888) has the molecular formula C15H12FN3O2S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
PubChem CID20961888
Molecular FormulaC15H12FN3O2S2
Molecular Weight349.41 g/mol
Exact Mass349.04
IUPAC NameN-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2S2/c16-10-1-3-11(4-2-10)17-13(20)9-22-8-12-7-14(21)19-5-6-23-15(19)18-12/h1-7H,8-9H2,(H,17,20)
InChIKeyDXIQIGHLBITUIL-UHFFFAOYSA-N
XLogP2.77
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 20961888) is N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The InChIKey is DXIQIGHLBITUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S2/c16-10-1-3-11(4-2-10)17-13(20)9-22-8-12-7-14(21)19-5-6-23-15(19)18-12/h1-7H,8-9H2,(H,17,20).
What are the key properties of N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 20961888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).