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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).