N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide

C13H14N4O4S — CID 108801631

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCC(=O)c1sc(NC(=O)CCn2ccc(=O)[nH]c2=O)nc1C
InChIInChI=1S/C13H14N4O4S/c1-7-11(8(2)18)22-12(14-7)15-9(19)3-5-17-6-4-10(20)16-13(17)21/h4,6H,3,5H2,1-2H3,(H,14,15,19)(H,16,20,21)
InChIKeyDFRNGBZIWSWWAO-UHFFFAOYSA-N
MW322.35 g/mol
LogP0.53
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 108801631) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID108801631
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCC(=O)c1sc(NC(=O)CCn2ccc(=O)[nH]c2=O)nc1C
InChIInChI=1S/C13H14N4O4S/c1-7-11(8(2)18)22-12(14-7)15-9(19)3-5-17-6-4-10(20)16-13(17)21/h4,6H,3,5H2,1-2H3,(H,14,15,19)(H,16,20,21)
InChIKeyDFRNGBZIWSWWAO-UHFFFAOYSA-N
XLogP0.53
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide
CID 734076
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CID 830648
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-2-butenamide
CID 733793
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2330063
1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 167682
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 84313703
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(5-fluoro-2-oxo-1-pyridinyl)acetamide
CID 84313878
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 8005393
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 8834602
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 16261158
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)propanamide
CID 72719968
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 108801631) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide is CC(=O)c1sc(NC(=O)CCn2ccc(=O)[nH]c2=O)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is DFRNGBZIWSWWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S/c1-7-11(8(2)18)22-12(14-7)15-9(19)3-5-17-6-4-10(20)16-13(17)21/h4,6H,3,5H2,1-2H3,(H,14,15,19)(H,16,20,21).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 322.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 108801631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).