3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

C12H14N4O3S — CID 108810774

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCn2ccc(=O)[nH]c2=O)cs1
InChIInChI=1S/C12H14N4O3S/c1-8-14-9(7-20-8)6-13-10(17)2-4-16-5-3-11(18)15-12(16)19/h3,5,7H,2,4,6H2,1H3,(H,13,17)(H,15,18,19)
InChIKeyZHUWJLGSTXEGCV-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.01
Rot. Bonds5

About 3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 108810774) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID108810774
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCn2ccc(=O)[nH]c2=O)cs1
InChIInChI=1S/C12H14N4O3S/c1-8-14-9(7-20-8)6-13-10(17)2-4-16-5-3-11(18)15-12(16)19/h3,5,7H,2,4,6H2,1H3,(H,13,17)(H,15,18,19)
InChIKeyZHUWJLGSTXEGCV-UHFFFAOYSA-N
XLogP0.01
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 91789350
3-(2,4-dioxopyrimidin-1-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108801629
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801533
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108810697
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 108801599
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90548872
3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61283822

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 108810774) is 3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CNC(=O)CCn2ccc(=O)[nH]c2=O)cs1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is ZHUWJLGSTXEGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-14-9(7-20-8)6-13-10(17)2-4-16-5-3-11(18)15-12(16)19/h3,5,7H,2,4,6H2,1H3,(H,13,17)(H,15,18,19).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 294.34 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 108810774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).