1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione

C13H17N3O2S — CID 75425876

IUPAC1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCC(C)CCc1csc(Cn2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C13H17N3O2S/c1-9(2)3-4-10-8-19-12(14-10)7-16-6-5-11(17)15-13(16)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17,18)
InChIKeyRXHLKNNGJHTAFP-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.63
Rot. Bonds5

About 1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione

1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 75425876) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID75425876
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCC(C)CCc1csc(Cn2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C13H17N3O2S/c1-9(2)3-4-10-8-19-12(14-10)7-16-6-5-11(17)15-13(16)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17,18)
InChIKeyRXHLKNNGJHTAFP-UHFFFAOYSA-N
XLogP1.63
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]isoindole-1,3-dione
CID 52887124
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-propan-2-ylimidazol-2-one
CID 80581389
4-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-2-(3-methylbutyl)-1,3-thiazole
CID 138044235
ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 84566781
(5S)-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 95343380
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56521213
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 91778461
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-[[5-(methylamino)pyrazin-2-yl]methyl]pyrimidine-2,4-dione
CID 103057147

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione (CID 75425876) is 1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione is CC(C)CCc1csc(Cn2ccc(=O)[nH]c2=O)n1.
What is the InChIKey of 1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is RXHLKNNGJHTAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(2)3-4-10-8-19-12(14-10)7-16-6-5-11(17)15-13(16)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17,18).
What are the key properties of 1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione?
1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 279.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-methylbutyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 75425876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).