2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile

C10H8N4O2S — CID 79874216

IUPAC2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile
SMILESN#Cc1cn(CCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C10H8N4O2S/c11-3-7-4-14(10(16)13-9(7)15)2-1-8-5-17-6-12-8/h4-6H,1-2H2,(H,13,15,16)
InChIKeyVUMLDELPPIJTEW-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.11
Rot. Bonds3

About 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile

2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile (PubChem CID 79874216) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile
PubChem CID79874216
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile
SMILESN#Cc1cn(CCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C10H8N4O2S/c11-3-7-4-14(10(16)13-9(7)15)2-1-8-5-17-6-12-8/h4-6H,1-2H2,(H,13,15,16)
InChIKeyVUMLDELPPIJTEW-UHFFFAOYSA-N
XLogP0.11
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-fluoro-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372569
5-Fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 112600708
5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione
CID 11535741
1,3-Dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile
CID 18205427
6-Amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
CID 55259887
1,3-Dimethyl-5-[(1,3-thiazol-4-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 62197621
2-Sulfanylidene-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-one
CID 63824290
1,3-Dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 63830060
6-Amino-1-(2-methylpropyl)-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
CID 63830273
6-Amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
CID 63830274
6-Amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
CID 63830275
6-Amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
CID 63830445

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile (CID 79874216) is 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile is N#Cc1cn(CCc2cscn2)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile?
The InChIKey is VUMLDELPPIJTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c11-3-7-4-14(10(16)13-9(7)15)2-1-8-5-17-6-12-8/h4-6H,1-2H2,(H,13,15,16).
What are the key properties of 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile?
2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile has a molecular weight of 248.27 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 79874216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).