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

C7H5N3O2S — CID 66678203

IUPAC3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1-c1nccs1
InChIInChI=1S/C7H5N3O2S/c11-5-1-2-8-6(12)10(5)7-9-3-4-13-7/h1-4H,(H,8,12)
InChIKeyIYIHJDOBXPEOKB-UHFFFAOYSA-N
MW195.20 g/mol
LogP-0.02
Rot. Bonds1

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

3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 66678203) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID66678203
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1-c1nccs1
InChIInChI=1S/C7H5N3O2S/c11-5-1-2-8-6(12)10(5)7-9-3-4-13-7/h1-4H,(H,8,12)
InChIKeyIYIHJDOBXPEOKB-UHFFFAOYSA-N
XLogP-0.02
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione (CID 66678203) is 3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1-c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is IYIHJDOBXPEOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c11-5-1-2-8-6(12)10(5)7-9-3-4-13-7/h1-4H,(H,8,12).
What are the key properties of 3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione?
3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 195.20 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66678203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).