N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide

C17H17N3O3S — CID 16933560

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2c(C)nc3scc(C)n3c2=O)cc1
InChIInChI=1S/C17H17N3O3S/c1-4-23-13-7-5-12(6-8-13)15(21)19-14-11(3)18-17-20(16(14)22)10(2)9-24-17/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyGBHYFQMBJWQOPO-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.02
Rot. Bonds4

About N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide (PubChem CID 16933560) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide
PubChem CID16933560
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2c(C)nc3scc(C)n3c2=O)cc1
InChIInChI=1S/C17H17N3O3S/c1-4-23-13-7-5-12(6-8-13)15(21)19-14-11(3)18-17-20(16(14)22)10(2)9-24-17/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyGBHYFQMBJWQOPO-UHFFFAOYSA-N
XLogP3.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)-4-ethoxybenzamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide (CID 16933560) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2c(C)nc3scc(C)n3c2=O)cc1.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide?
The InChIKey is GBHYFQMBJWQOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-4-23-13-7-5-12(6-8-13)15(21)19-14-11(3)18-17-20(16(14)22)10(2)9-24-17/h5-9H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-ethoxybenzamide has a molecular weight of 343.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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)-4-ethoxybenzamide is sourced from PubChem (CID 16933560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).