2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C13H8ClN3O2S — CID 2380034

IUPAC2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2sccn2c1=O)c1ccccc1Cl
InChIInChI=1S/C13H8ClN3O2S/c14-9-4-2-1-3-8(9)11(18)16-10-7-15-13-17(12(10)19)5-6-20-13/h1-7H,(H,16,18)
InChIKeyZZZDEKSRJRMEHB-UHFFFAOYSA-N
MW305.75 g/mol
LogP2.66
Rot. Bonds2

About 2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 2380034) has the molecular formula C13H8ClN3O2S and a molecular weight of 305.75 g/mol. Its IUPAC name is 2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID2380034
Molecular FormulaC13H8ClN3O2S
Molecular Weight305.75 g/mol
Exact Mass305.00
IUPAC Name2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2sccn2c1=O)c1ccccc1Cl
InChIInChI=1S/C13H8ClN3O2S/c14-9-4-2-1-3-8(9)11(18)16-10-7-15-13-17(12(10)19)5-6-20-13/h1-7H,(H,16,18)
InChIKeyZZZDEKSRJRMEHB-UHFFFAOYSA-N
XLogP2.66
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 2380034) is 2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is O=C(Nc1cnc2sccn2c1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is ZZZDEKSRJRMEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2S/c14-9-4-2-1-3-8(9)11(18)16-10-7-15-13-17(12(10)19)5-6-20-13/h1-7H,(H,16,18).
What are the key properties of 2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 305.75 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 2380034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).