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

C19H20N4O3S — CID 53153299

IUPAC2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1c(=O)n(C2CC2)c(=O)c2nscc21
InChIInChI=1S/C19H20N4O3S/c1-3-12-6-4-5-11(2)16(12)20-15(24)9-22-14-10-27-21-17(14)18(25)23(19(22)26)13-7-8-13/h4-6,10,13H,3,7-9H2,1-2H3,(H,20,24)
InChIKeyHPRDPSUVIXNEDC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.46
Rot. Bonds5

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

2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 53153299) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID53153299
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1c(=O)n(C2CC2)c(=O)c2nscc21
InChIInChI=1S/C19H20N4O3S/c1-3-12-6-4-5-11(2)16(12)20-15(24)9-22-14-10-27-21-17(14)18(25)23(19(22)26)13-7-8-13/h4-6,10,13H,3,7-9H2,1-2H3,(H,20,24)
InChIKeyHPRDPSUVIXNEDC-UHFFFAOYSA-N
XLogP2.46
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 53153167
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 53153288
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide
CID 53153304
N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153302
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 53153264
N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153157
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
CID 53153032
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
N-(2-ethyl-6-methylphenyl)-2-[2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 20974639
2-[2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 20974562
2-(6-ethyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-fluorophenyl)acetamide
CID 53153215
N-(2-ethyl-6-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-4-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 53148110

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide (CID 53153299) is 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)Cn1c(=O)n(C2CC2)c(=O)c2nscc21.
What is the InChIKey of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is HPRDPSUVIXNEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-3-12-6-4-5-11(2)16(12)20-15(24)9-22-14-10-27-21-17(14)18(25)23(19(22)26)13-7-8-13/h4-6,10,13H,3,7-9H2,1-2H3,(H,20,24).
What are the key properties of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 53153299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).