1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione

C8H9N5O2S — CID 80608001

IUPAC1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1nnc(Cn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C8H9N5O2S/c1-9-7-12-11-6(16-7)4-13-3-2-5(14)10-8(13)15/h2-3H,4H2,1H3,(H,9,12)(H,10,14,15)
InChIKeyNGTTXJTYDONHCT-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.52
Rot. Bonds3

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

1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 80608001) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID80608001
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1nnc(Cn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C8H9N5O2S/c1-9-7-12-11-6(16-7)4-13-3-2-5(14)10-8(13)15/h2-3H,4H2,1H3,(H,9,12)(H,10,14,15)
InChIKeyNGTTXJTYDONHCT-UHFFFAOYSA-N
XLogP-0.52
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 37683307
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
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51176083
2-(2,4-dioxopyrimidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 60372141

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (CID 80608001) is 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is CNc1nnc(Cn2ccc(=O)[nH]c2=O)s1.
What is the InChIKey of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is NGTTXJTYDONHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-9-7-12-11-6(16-7)4-13-3-2-5(14)10-8(13)15/h2-3H,4H2,1H3,(H,9,12)(H,10,14,15).
What are the key properties of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 239.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80608001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).