3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione

C9H11N5O2S — CID 80609170

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2nnc(N)s2)c1=O
InChIInChI=1S/C9H11N5O2S/c1-2-13-4-3-7(15)14(9(13)16)5-6-11-12-8(10)17-6/h3-4H,2,5H2,1H3,(H2,10,12)
InChIKeyCUKZMYULENZDRY-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.49
Rot. Bonds3

About 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione

3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione (PubChem CID 80609170) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione
PubChem CID80609170
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2nnc(N)s2)c1=O
InChIInChI=1S/C9H11N5O2S/c1-2-13-4-3-7(15)14(9(13)16)5-6-11-12-8(10)17-6/h3-4H,2,5H2,1H3,(H2,10,12)
InChIKeyCUKZMYULENZDRY-UHFFFAOYSA-N
XLogP-0.49
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-Fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608648
5-Fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608733
1-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 80608817
1-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 80608818
3-(2,4-dioxo(1,3-dihydropyrimidinyl))-N-(5-methyl(1,3,4-thiadiazol-2-yl))propa namide
CID 17016044
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 37682970
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 37684986
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 37685679
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 37725006
2-(2,4-dioxopyrimidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 60372141
3-[[5-(Methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione
CID 80607736
1-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione
CID 80607742

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione (CID 80609170) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione is CCn1ccc(=O)n(Cc2nnc(N)s2)c1=O.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is CUKZMYULENZDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-2-13-4-3-7(15)14(9(13)16)5-6-11-12-8(10)17-6/h3-4H,2,5H2,1H3,(H2,10,12).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione?
3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 253.29 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 80609170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).