3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide

C20H22N4O3S — CID 135968586

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)n1
InChIInChI=1S/C20H22N4O3S/c1-11-5-7-17(27-4)15(9-11)16-10-28-20(23-16)24-18(25)8-6-14-12(2)21-13(3)22-19(14)26/h5,7,9-10H,6,8H2,1-4H3,(H,21,22,26)(H,23,24,25)
InChIKeySFIHPUHUMOELMY-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.40
Rot. Bonds6

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 135968586) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID135968586
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)n1
InChIInChI=1S/C20H22N4O3S/c1-11-5-7-17(27-4)15(9-11)16-10-28-20(23-16)24-18(25)8-6-14-12(2)21-13(3)22-19(14)26/h5,7,9-10H,6,8H2,1-4H3,(H,21,22,26)(H,23,24,25)
InChIKeySFIHPUHUMOELMY-UHFFFAOYSA-N
XLogP3.40
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135968602
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 135941950
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 37010082
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide
CID 32649718
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24509607
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
CID 26723816
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17417503
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 26723709
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 30840626
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 136890158
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135954920

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide (CID 135968586) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(C)cc1-c1csc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)n1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SFIHPUHUMOELMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-11-5-7-17(27-4)15(9-11)16-10-28-20(23-16)24-18(25)8-6-14-12(2)21-13(3)22-19(14)26/h5,7,9-10H,6,8H2,1-4H3,(H,21,22,26)(H,23,24,25).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 398.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 135968586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).