5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione

C9H9N3O2S — CID 135995200

IUPAC5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESCc1nc(-c2c[nH]c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C9H9N3O2S/c1-4-5(2)15-8(11-4)6-3-10-9(14)12-7(6)13/h3H,1-2H3,(H2,10,12,13,14)
InChIKeyILTNYLYFWLTICD-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.80
Rot. Bonds1

About 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione

5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 135995200) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID135995200
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESCc1nc(-c2c[nH]c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C9H9N3O2S/c1-4-5(2)15-8(11-4)6-3-10-9(14)12-7(6)13/h3H,1-2H3,(H2,10,12,13,14)
InChIKeyILTNYLYFWLTICD-UHFFFAOYSA-N
XLogP0.80
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-Methyl-5-(4-methyl-2-thiazolyl)-2,4(1H,3H)-pyrimidinedione
CID 47002148
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 91796805
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-[(2-isopropyl-4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 91844255
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 56720430
3-[5-(4-methyl-1,3-thiazol-2-yl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]propanal
CID 59448359
5-(4-methyl-1,3-thiazol-2-yl)-2,4(1H,3H)-pyrimidinedione
CID 135990572
1-Methyl-5-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrobromide
CID 47002188
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide
CID 51135046
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 56710083
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 56722555
1,3-Dimethyl-5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 61526513
1,3-Dimethyl-5-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
CID 63279850

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (CID 135995200) is 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is Cc1nc(-c2c[nH]c(=O)[nH]c2=O)sc1C.
What is the InChIKey of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is ILTNYLYFWLTICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-4-5(2)15-8(11-4)6-3-10-9(14)12-7(6)13/h3H,1-2H3,(H2,10,12,13,14).
What are the key properties of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 223.26 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135995200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).