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

C17H18N4O3S — CID 53153143

IUPAC2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide
SMILESCCCn1c(=O)c2nscc2n(CC(=O)Nc2cccc(C)c2)c1=O
InChIInChI=1S/C17H18N4O3S/c1-3-7-20-16(23)15-13(10-25-19-15)21(17(20)24)9-14(22)18-12-6-4-5-11(2)8-12/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,22)
InChIKeyVFGCIIOSBKBXCC-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.98
Rot. Bonds5

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

2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide (PubChem CID 53153143) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide
PubChem CID53153143
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide
SMILESCCCn1c(=O)c2nscc2n(CC(=O)Nc2cccc(C)c2)c1=O
InChIInChI=1S/C17H18N4O3S/c1-3-7-20-16(23)15-13(10-25-19-15)21(17(20)24)9-14(22)18-12-6-4-5-11(2)8-12/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,22)
InChIKeyVFGCIIOSBKBXCC-UHFFFAOYSA-N
XLogP1.98
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153157
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-ethyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-fluorophenyl)acetamide
CID 53153215
N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153171
N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153180
N-[(2R)-butan-2-yl]-2-[6-[(3-methylphenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 95098165
2-[3-(3-methylbutyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 46922766
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-methylphenyl)acetamide
CID 53153267
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
CID 53153032
N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15992650
N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 71956354
N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 71956380

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-(3-methylphenyl)acetamide?
The IUPAC name of 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide (CID 53153143) is 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide is CCCn1c(=O)c2nscc2n(CC(=O)Nc2cccc(C)c2)c1=O.
What is the InChIKey of 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is VFGCIIOSBKBXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-3-7-20-16(23)15-13(10-25-19-15)21(17(20)24)9-14(22)18-12-6-4-5-11(2)8-12/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,22).
What are the key properties of 2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide?
2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 1.98, 5 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 53153143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).