5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione

C7H5ClN4O2S — CID 130549745

IUPAC5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2csnn2)cc1Cl
InChIInChI=1S/C7H5ClN4O2S/c8-5-2-12(7(14)9-6(5)13)1-4-3-15-11-10-4/h2-3H,1H2,(H,9,13,14)
InChIKeyIWMLYMHEGYWSLR-UHFFFAOYSA-N
MW244.66 g/mol
LogP0.09
Rot. Bonds2

About 5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione

5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 130549745) has the molecular formula C7H5ClN4O2S and a molecular weight of 244.66 g/mol. Its IUPAC name is 5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID130549745
Molecular FormulaC7H5ClN4O2S
Molecular Weight244.66 g/mol
Exact Mass243.98
IUPAC Name5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2csnn2)cc1Cl
InChIInChI=1S/C7H5ClN4O2S/c8-5-2-12(7(14)9-6(5)13)1-4-3-15-11-10-4/h2-3H,1H2,(H,9,13,14)
InChIKeyIWMLYMHEGYWSLR-UHFFFAOYSA-N
XLogP0.09
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione (CID 130549745) is 5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2csnn2)cc1Cl.
What is the InChIKey of 5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is IWMLYMHEGYWSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2S/c8-5-2-12(7(14)9-6(5)13)1-4-3-15-11-10-4/h2-3H,1H2,(H,9,13,14).
What are the key properties of 5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione?
5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 244.66 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(thiadiazol-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 130549745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).