2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

C19H18N6O3S — CID 9115745

IUPAC2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c2ccccc2)n1
InChIInChI=1S/C19H18N6O3S/c1-12-10-29-18(21-12)25(13-7-5-4-6-8-13)14(26)9-24-17(27)15-16(20-11-22(15)2)23(3)19(24)28/h4-8,10-11H,9H2,1-3H3
InChIKeyVCUKERHFZRJUPG-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.56
Rot. Bonds4

About 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (PubChem CID 9115745) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
PubChem CID9115745
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c2ccccc2)n1
InChIInChI=1S/C19H18N6O3S/c1-12-10-29-18(21-12)25(13-7-5-4-6-8-13)14(26)9-24-17(27)15-16(20-11-22(15)2)23(3)19(24)28/h4-8,10-11H,9H2,1-3H3
InChIKeyVCUKERHFZRJUPG-UHFFFAOYSA-N
XLogP1.56
TPSA95.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-methylphenyl)acetamide
CID 55333597
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide
CID 55883933
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate
CID 167782250
N-(1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide
CID 112763403
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 17407973
N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886999
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 47096637
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2,5-dimethylphenyl)-N-ethylacetamide
CID 55592365
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
N-[(5-bromothiophen-2-yl)methyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methylacetamide
CID 55360436
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17412450
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide
CID 26727406

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (CID 9115745) is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is Cc1csc(N(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c2ccccc2)n1.
What is the InChIKey of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The InChIKey is VCUKERHFZRJUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-12-10-29-18(21-12)25(13-7-5-4-6-8-13)14(26)9-24-17(27)15-16(20-11-22(15)2)23(3)19(24)28/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide has a molecular weight of 410.46 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 9115745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).