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

C18H20N4O3S — CID 53153157

IUPACN-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
SMILESCCCn1c(=O)c2nscc2n(CC(=O)Nc2cccc(C)c2C)c1=O
InChIInChI=1S/C18H20N4O3S/c1-4-8-21-17(24)16-14(10-26-20-16)22(18(21)25)9-15(23)19-13-7-5-6-11(2)12(13)3/h5-7,10H,4,8-9H2,1-3H3,(H,19,23)
InChIKeyOMLDFCNOCZNMHK-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.29
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide (PubChem CID 53153157) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
PubChem CID53153157
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
SMILESCCCn1c(=O)c2nscc2n(CC(=O)Nc2cccc(C)c2C)c1=O
InChIInChI=1S/C18H20N4O3S/c1-4-8-21-17(24)16-14(10-26-20-16)22(18(21)25)9-15(23)19-13-7-5-6-11(2)12(13)3/h5-7,10H,4,8-9H2,1-3H3,(H,19,23)
InChIKeyOMLDFCNOCZNMHK-UHFFFAOYSA-N
XLogP2.29
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide
CID 53153143
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
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
CID 53153032
2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53153185
2-(6-ethyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-fluorophenyl)acetamide
CID 53153215
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 53153031
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 53153299
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
N-(2-chlorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153266
N-(2,3-dimethylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409147

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide (CID 53153157) is N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide is CCCn1c(=O)c2nscc2n(CC(=O)Nc2cccc(C)c2C)c1=O.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
The InChIKey is OMLDFCNOCZNMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-4-8-21-17(24)16-14(10-26-20-16)22(18(21)25)9-15(23)19-13-7-5-6-11(2)12(13)3/h5-7,10H,4,8-9H2,1-3H3,(H,19,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 53153157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).