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

C8H7N3O2S — CID 135990572

IUPAC5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESCc1csc(-c2c[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C8H7N3O2S/c1-4-3-14-7(10-4)5-2-9-8(13)11-6(5)12/h2-3H,1H3,(H2,9,11,12,13)
InChIKeyLOQMITNDEPYWIZ-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.50
Rot. Bonds1

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

5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 135990572) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID135990572
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESCc1csc(-c2c[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C8H7N3O2S/c1-4-3-14-7(10-4)5-2-9-8(13)11-6(5)12/h2-3H,1H3,(H2,9,11,12,13)
InChIKeyLOQMITNDEPYWIZ-UHFFFAOYSA-N
XLogP0.50
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-(4-methyl-2-thiazolyl)-2,4(1H,3H)-pyrimidinedione
CID 47002148
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97826417
1,5-Dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 122155057
6-chloro-5-fluoro-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372482
5-Fluoro-6-hydroxy-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600592
5-(2-Methyl-1,3-thiazol-4-yl)pyrimidine-2,4(1h,3h)-dione
CID 238867
1-[3,3-bis(methyloxy)propyl]-5-(4-methyl-1,3-thiazol-2-yl)-2,4(1H,3H)-pyrimidinedione
CID 59448351
3-[5-(4-methyl-1,3-thiazol-2-yl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]propanal
CID 59448359
5-(2-methyl-1,3-thiazol-4-yl)-2,4(1H,3H)-pyrimidinedione hydrochloride
CID 67519693
2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione
CID 68661027
5-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4(1H,3H)-pyrimidinedione
CID 135995200
3-(4-methylthiazol-2-yl)pyridin-2(1H)-one
CID 155787529

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (CID 135990572) is 5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is Cc1csc(-c2c[nH]c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is LOQMITNDEPYWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-4-3-14-7(10-4)5-2-9-8(13)11-6(5)12/h2-3H,1H3,(H2,9,11,12,13).
What are the key properties of 5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 209.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135990572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).