2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide

C13H17N5O3S — CID 9174002

IUPAC2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCCn1c(N)c(-c2csc(CC(N)=O)n2)c(=O)n(C)c1=O
InChIInChI=1S/C13H17N5O3S/c1-3-4-18-11(15)10(12(20)17(2)13(18)21)7-6-22-9(16-7)5-8(14)19/h6H,3-5,15H2,1-2H3,(H2,14,19)
InChIKeyKOYMXDMOVWDKRE-UHFFFAOYSA-N
MW323.38 g/mol
LogP-0.31
Rot. Bonds5

About 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide

2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 9174002) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID9174002
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCCn1c(N)c(-c2csc(CC(N)=O)n2)c(=O)n(C)c1=O
InChIInChI=1S/C13H17N5O3S/c1-3-4-18-11(15)10(12(20)17(2)13(18)21)7-6-22-9(16-7)5-8(14)19/h6H,3-5,15H2,1-2H3,(H2,14,19)
InChIKeyKOYMXDMOVWDKRE-UHFFFAOYSA-N
XLogP-0.31
TPSA126.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

6-amino-5-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9420731
6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9420729
6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9173921
6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione
CID 25469654
2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
2-(4-amino-1,3-thiazol-2-yl)acetamide
CID 130787595
5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
CID 14257879
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
CID 60528867
6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16524252
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9173988
6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2123195

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide (CID 9174002) is 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide is CCCn1c(N)c(-c2csc(CC(N)=O)n2)c(=O)n(C)c1=O.
What is the InChIKey of 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KOYMXDMOVWDKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-3-4-18-11(15)10(12(20)17(2)13(18)21)7-6-22-9(16-7)5-8(14)19/h6H,3-5,15H2,1-2H3,(H2,14,19).
What are the key properties of 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide?
2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 323.38 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9174002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).