2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide

C19H22N4O3S — CID 53153167

IUPAC2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCCn1c(=O)c2nscc2n(CC(=O)Nc2c(C)cccc2CC)c1=O
InChIInChI=1S/C19H22N4O3S/c1-4-9-22-18(25)17-14(11-27-21-17)23(19(22)26)10-15(24)20-16-12(3)7-6-8-13(16)5-2/h6-8,11H,4-5,9-10H2,1-3H3,(H,20,24)
InChIKeyAXZJMAJCKIEISP-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.54
Rot. Bonds6

About 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide

2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 53153167) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID53153167
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCCn1c(=O)c2nscc2n(CC(=O)Nc2c(C)cccc2CC)c1=O
InChIInChI=1S/C19H22N4O3S/c1-4-9-22-18(25)17-14(11-27-21-17)23(19(22)26)10-15(24)20-16-12(3)7-6-8-13(16)5-2/h6-8,11H,4-5,9-10H2,1-3H3,(H,20,24)
InChIKeyAXZJMAJCKIEISP-UHFFFAOYSA-N
XLogP2.54
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide (CID 53153167) is 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide is CCCn1c(=O)c2nscc2n(CC(=O)Nc2c(C)cccc2CC)c1=O.
What is the InChIKey of 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is AXZJMAJCKIEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-4-9-22-18(25)17-14(11-27-21-17)23(19(22)26)10-15(24)20-16-12(3)7-6-8-13(16)5-2/h6-8,11H,4-5,9-10H2,1-3H3,(H,20,24).
What are the key properties of 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 53153167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).