6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C12H15N5O3S3 — CID 2661384

IUPAC6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCSc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C12H15N5O3S3/c1-4-21-10-14-15-11(23-10)22-5-6(18)7-8(13)16(2)12(20)17(3)9(7)19/h4-5,13H2,1-3H3
InChIKeyUKRQCXPMLJTXTK-UHFFFAOYSA-N
MW373.49 g/mol
LogP0.60
Rot. Bonds6

About 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2661384) has the molecular formula C12H15N5O3S3 and a molecular weight of 373.49 g/mol. Its IUPAC name is 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2661384
Molecular FormulaC12H15N5O3S3
Molecular Weight373.49 g/mol
Exact Mass373.03
IUPAC Name6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCSc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C12H15N5O3S3/c1-4-21-10-14-15-11(23-10)22-5-6(18)7-8(13)16(2)12(20)17(3)9(7)19/h4-5,13H2,1-3H3
InChIKeyUKRQCXPMLJTXTK-UHFFFAOYSA-N
XLogP0.60
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.49
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-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 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 2661384) is 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is CCSc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1.
What is the InChIKey of 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UKRQCXPMLJTXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S3/c1-4-21-10-14-15-11(23-10)22-5-6(18)7-8(13)16(2)12(20)17(3)9(7)19/h4-5,13H2,1-3H3.
What are the key properties of 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 373.49 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2661384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).