N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide

C17H17N3O4S — CID 16933571

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2c(C)nc3scc(C)n3c2=O)c1
InChIInChI=1S/C17H17N3O4S/c1-9-8-25-17-18-10(2)14(16(22)20(9)17)19-15(21)11-5-12(23-3)7-13(6-11)24-4/h5-8H,1-4H3,(H,19,21)
InChIKeyVHMIWGBLYIFMTN-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.64
Rot. Bonds4

About N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide (PubChem CID 16933571) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide
PubChem CID16933571
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2c(C)nc3scc(C)n3c2=O)c1
InChIInChI=1S/C17H17N3O4S/c1-9-8-25-17-18-10(2)14(16(22)20(9)17)19-15(21)11-5-12(23-3)7-13(6-11)24-4/h5-8H,1-4H3,(H,19,21)
InChIKeyVHMIWGBLYIFMTN-UHFFFAOYSA-N
XLogP2.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide (CID 16933571) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2c(C)nc3scc(C)n3c2=O)c1.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide?
The InChIKey is VHMIWGBLYIFMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-9-8-25-17-18-10(2)14(16(22)20(9)17)19-15(21)11-5-12(23-3)7-13(6-11)24-4/h5-8H,1-4H3,(H,19,21).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide has a molecular weight of 359.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 16933571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).