2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile

C11H10N4O2S — CID 79874660

IUPAC2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile
SMILESCC(C)c1csc(-n2cc(C#N)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H10N4O2S/c1-6(2)8-5-18-11(13-8)15-4-7(3-12)9(16)14-10(15)17/h4-6H,1-2H3,(H,14,16,17)
InChIKeyKHCMFIGNWSLQFF-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.98
Rot. Bonds2

About 2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile

2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile (PubChem CID 79874660) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile
PubChem CID79874660
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile
SMILESCC(C)c1csc(-n2cc(C#N)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H10N4O2S/c1-6(2)8-5-18-11(13-8)15-4-7(3-12)9(16)14-10(15)17/h4-6H,1-2H3,(H,14,16,17)
InChIKeyKHCMFIGNWSLQFF-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Fluoro-6-hydroxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
CID 112599850
3-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-1-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 71855939
5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18130034
1,3-Dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile
CID 18205427
N-[4-[(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 36992278
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 45816145
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 53499795
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60457243
N-(4-(tert-butyl)thiazol-2-yl)-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71705675
1-(4-Cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79873763
1-(4-Methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79874202
2,4-Dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile
CID 79874216

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile (CID 79874660) is 2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile is CC(C)c1csc(-n2cc(C#N)c(=O)[nH]c2=O)n1.
What is the InChIKey of 2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is KHCMFIGNWSLQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-6(2)8-5-18-11(13-8)15-4-7(3-12)9(16)14-10(15)17/h4-6H,1-2H3,(H,14,16,17).
What are the key properties of 2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile?
2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 262.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 79874660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).