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

C7H7N5O2S — CID 80608094

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione
SMILESNc1nnc(Cn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C7H7N5O2S/c8-6-11-10-5(15-6)3-12-2-1-4(13)9-7(12)14/h1-2H,3H2,(H2,8,11)(H,9,13,14)
InChIKeyVNYULCMYWYJFLO-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.98
Rot. Bonds2

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

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 80608094) has the molecular formula C7H7N5O2S and a molecular weight of 225.23 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID80608094
Molecular FormulaC7H7N5O2S
Molecular Weight225.23 g/mol
Exact Mass225.03
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione
SMILESNc1nnc(Cn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C7H7N5O2S/c8-6-11-10-5(15-6)3-12-2-1-4(13)9-7(12)14/h1-2H,3H2,(H2,8,11)(H,9,13,14)
InChIKeyVNYULCMYWYJFLO-UHFFFAOYSA-N
XLogP-0.98
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(5-amino-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

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione (CID 80608094) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione is Nc1nnc(Cn2ccc(=O)[nH]c2=O)s1.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is VNYULCMYWYJFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S/c8-6-11-10-5(15-6)3-12-2-1-4(13)9-7(12)14/h1-2H,3H2,(H2,8,11)(H,9,13,14).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 225.23 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80608094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).