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

C7H5N3O2S — CID 11535741

IUPAC5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cscn2)c(=O)[nH]1
InChIInChI=1S/C7H5N3O2S/c11-6-4(1-8-7(12)10-6)5-2-13-3-9-5/h1-3H,(H2,8,10,11,12)
InChIKeyNLNBLZWRYUEPTM-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.19
Rot. Bonds1

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

5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione (PubChem CID 11535741) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione
PubChem CID11535741
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cscn2)c(=O)[nH]1
InChIInChI=1S/C7H5N3O2S/c11-6-4(1-8-7(12)10-6)5-2-13-3-9-5/h1-3H,(H2,8,10,11,12)
InChIKeyNLNBLZWRYUEPTM-UHFFFAOYSA-N
XLogP0.19
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione (CID 11535741) is 5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cscn2)c(=O)[nH]1.
What is the InChIKey of 5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is NLNBLZWRYUEPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c11-6-4(1-8-7(12)10-6)5-2-13-3-9-5/h1-3H,(H2,8,10,11,12).
What are the key properties of 5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione?
5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 195.20 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11535741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).