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

C15H13N3O4S — CID 18891571

IUPAC3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc3sccn3c2=O)cc1OC
InChIInChI=1S/C15H13N3O4S/c1-21-11-4-3-9(7-12(11)22-2)13(19)17-10-8-16-15-18(14(10)20)5-6-23-15/h3-8H,1-2H3,(H,17,19)
InChIKeyNDAFYRBTRBXRNM-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.03
Rot. Bonds4

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

3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 18891571) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID18891571
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc3sccn3c2=O)cc1OC
InChIInChI=1S/C15H13N3O4S/c1-21-11-4-3-9(7-12(11)22-2)13(19)17-10-8-16-15-18(14(10)20)5-6-23-15/h3-8H,1-2H3,(H,17,19)
InChIKeyNDAFYRBTRBXRNM-UHFFFAOYSA-N
XLogP2.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(8-chloro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)-3,4-dimethoxybenzamide
CID 18891581
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
3,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626060
3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 69002184
3-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 90626010
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 18891571) is 3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is COc1ccc(C(=O)Nc2cnc3sccn3c2=O)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is NDAFYRBTRBXRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-21-11-4-3-9(7-12(11)22-2)13(19)17-10-8-16-15-18(14(10)20)5-6-23-15/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 331.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 18891571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).