N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

C12H14N4O2S — CID 154583574

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2nc(C)c(C)s2)cn1
InChIInChI=1S/C12H14N4O2S/c1-7-4-11(18)16(6-13-7)5-10(17)15-12-14-8(2)9(3)19-12/h4,6H,5H2,1-3H3,(H,14,15,17)
InChIKeyIEQYSALYRRNGNC-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.26
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 154583574) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID154583574
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2nc(C)c(C)s2)cn1
InChIInChI=1S/C12H14N4O2S/c1-7-4-11(18)16(6-13-7)5-10(17)15-12-14-8(2)9(3)19-12/h4,6H,5H2,1-3H3,(H,14,15,17)
InChIKeyIEQYSALYRRNGNC-UHFFFAOYSA-N
XLogP1.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-2-oxo-1-pyridinyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 62814622
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide
CID 110688639
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(1,2-oxazol-3-yl)acetamide
CID 121064043
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517381
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 52900017
3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 62025793
N-(2,4-dimethoxypyrimidin-5-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122304166
N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224163
N-(2-amino-4-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61227111
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 18128657
N-(2-methyl-4-oxopentan-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 62023206

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 154583574) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)Nc2nc(C)c(C)s2)cn1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is IEQYSALYRRNGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-4-11(18)16(6-13-7)5-10(17)15-12-14-8(2)9(3)19-12/h4,6H,5H2,1-3H3,(H,14,15,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 278.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 154583574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).