N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C15H20N4O3S — CID 91777669

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCCC(NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1nc(C)c(C)s1
InChIInChI=1S/C15H20N4O3S/c1-5-11(13-17-8(2)9(3)23-13)18-12(20)6-10-7-16-15(22)19(4)14(10)21/h7,11H,5-6H2,1-4H3,(H,16,22)(H,18,20)
InChIKeyNQZNWBYQHMLEPY-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.96
Rot. Bonds5

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91777669) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91777669
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCCC(NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1nc(C)c(C)s1
InChIInChI=1S/C15H20N4O3S/c1-5-11(13-17-8(2)9(3)23-13)18-12(20)6-10-7-16-15(22)19(4)14(10)21/h7,11H,5-6H2,1-4H3,(H,16,22)(H,18,20)
InChIKeyNQZNWBYQHMLEPY-UHFFFAOYSA-N
XLogP0.96
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
CID 95509635
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 95226256
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 118766836
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-methylimidazole-4-carboxamide
CID 118775956
2-amino-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118763339
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide
CID 72930807
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125161813
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91784342
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 91766476
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide
CID 118765250
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91768357
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97154885

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91777669) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CCC(NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is NQZNWBYQHMLEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-5-11(13-17-8(2)9(3)23-13)18-12(20)6-10-7-16-15(22)19(4)14(10)21/h7,11H,5-6H2,1-4H3,(H,16,22)(H,18,20).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 336.42 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91777669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).