2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C13H7Cl2N3O2S — CID 2380036

IUPAC2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2sccn2c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2N3O2S/c14-7-1-2-8(9(15)5-7)11(19)17-10-6-16-13-18(12(10)20)3-4-21-13/h1-6H,(H,17,19)
InChIKeyUOSZYBMMQZRSLM-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.32
Rot. Bonds2

About 2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 2380036) has the molecular formula C13H7Cl2N3O2S and a molecular weight of 340.19 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID2380036
Molecular FormulaC13H7Cl2N3O2S
Molecular Weight340.19 g/mol
Exact Mass338.96
IUPAC Name2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2sccn2c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2N3O2S/c14-7-1-2-8(9(15)5-7)11(19)17-10-6-16-13-18(12(10)20)3-4-21-13/h1-6H,(H,17,19)
InChIKeyUOSZYBMMQZRSLM-UHFFFAOYSA-N
XLogP3.32
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 3971209
2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2369608
2-chloro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2380034
4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]benzamide
CID 3245252
4-fluoro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 801344
2-chloro-N-(3,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide
CID 16933551
2-Chloro-N-{2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-6-YL}benzamide
CID 18891549
2-chloro-6-fluoro-N-(2,3,7-trimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 44017060
N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 6461437
N-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
CID 851729
4-methyl-N-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
CID 16933422
2-chloro-N-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
CID 16933436

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 2380036) is 2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is O=C(Nc1cnc2sccn2c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is UOSZYBMMQZRSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O2S/c14-7-1-2-8(9(15)5-7)11(19)17-10-6-16-13-18(12(10)20)3-4-21-13/h1-6H,(H,17,19).
What are the key properties of 2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 340.19 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 2380036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).