1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile

C11H10N4O2S — CID 79875756

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCc1nc(-n2cc(C#N)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C11H10N4O2S/c1-3-8-6(2)18-11(13-8)15-5-7(4-12)9(16)14-10(15)17/h5H,3H2,1-2H3,(H,14,16,17)
InChIKeyPASRWJWVILKYRL-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.72
Rot. Bonds2

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 79875756) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID79875756
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCc1nc(-n2cc(C#N)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C11H10N4O2S/c1-3-8-6(2)18-11(13-8)15-5-7(4-12)9(16)14-10(15)17/h5H,3H2,1-2H3,(H,14,16,17)
InChIKeyPASRWJWVILKYRL-UHFFFAOYSA-N
XLogP0.72
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile (CID 79875756) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile is CCc1nc(-n2cc(C#N)c(=O)[nH]c2=O)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is PASRWJWVILKYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-3-8-6(2)18-11(13-8)15-5-7(4-12)9(16)14-10(15)17/h5H,3H2,1-2H3,(H,14,16,17).
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 262.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 79875756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).