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

C8H7N3O2S — CID 175016144

IUPAC3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESCc1cnc(-n2c(=O)cc[nH]c2=O)s1
InChIInChI=1S/C8H7N3O2S/c1-5-4-10-8(14-5)11-6(12)2-3-9-7(11)13/h2-4H,1H3,(H,9,13)
InChIKeyDGSHNSQRBJYAHN-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.29
Rot. Bonds1

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

3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 175016144) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID175016144
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESCc1cnc(-n2c(=O)cc[nH]c2=O)s1
InChIInChI=1S/C8H7N3O2S/c1-5-4-10-8(14-5)11-6(12)2-3-9-7(11)13/h2-4H,1H3,(H,9,13)
InChIKeyDGSHNSQRBJYAHN-UHFFFAOYSA-N
XLogP0.29
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (CID 175016144) is 3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is Cc1cnc(-n2c(=O)cc[nH]c2=O)s1.
What is the InChIKey of 3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is DGSHNSQRBJYAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-5-4-10-8(14-5)11-6(12)2-3-9-7(11)13/h2-4H,1H3,(H,9,13).
What are the key properties of 3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 209.23 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 175016144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).