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

C8H7N3O2S — CID 175873288

IUPAC3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1Cc1cscn1
InChIInChI=1S/C8H7N3O2S/c12-7-1-2-9-8(13)11(7)3-6-4-14-5-10-6/h1-2,4-5H,3H2,(H,9,13)
InChIKeyHKHSCZRMZKBKHZ-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.04
Rot. Bonds2

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

3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 175873288) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID175873288
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1Cc1cscn1
InChIInChI=1S/C8H7N3O2S/c12-7-1-2-9-8(13)11(7)3-6-4-14-5-10-6/h1-2,4-5H,3H2,(H,9,13)
InChIKeyHKHSCZRMZKBKHZ-UHFFFAOYSA-N
XLogP0.04
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.04
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-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione (CID 175873288) is 3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1Cc1cscn1.
What is the InChIKey of 3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HKHSCZRMZKBKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-7-1-2-9-8(13)11(7)3-6-4-14-5-10-6/h1-2,4-5H,3H2,(H,9,13).
What are the key properties of 3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione?
3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 209.23 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 175873288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).