6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione

C16H15N5O3S2 — CID 2532080

IUPAC6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CSc2nncs2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H15N5O3S2/c1-20-14(23)12(11(22)8-25-15-19-18-9-26-15)13(17)21(16(20)24)7-10-5-3-2-4-6-10/h2-6,9H,7-8,17H2,1H3
InChIKeyXYXTWTYKQHBETE-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.00
Rot. Bonds6

About 6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione

6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione (PubChem CID 2532080) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione
PubChem CID2532080
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC Name6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CSc2nncs2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H15N5O3S2/c1-20-14(23)12(11(22)8-25-15-19-18-9-26-15)13(17)21(16(20)24)7-10-5-3-2-4-6-10/h2-6,9H,7-8,17H2,1H3
InChIKeyXYXTWTYKQHBETE-UHFFFAOYSA-N
XLogP1.00
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione (CID 2532080) is 6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione is Cn1c(=O)c(C(=O)CSc2nncs2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
The InChIKey is XYXTWTYKQHBETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c1-20-14(23)12(11(22)8-25-15-19-18-9-26-15)13(17)21(16(20)24)7-10-5-3-2-4-6-10/h2-6,9H,7-8,17H2,1H3.
What are the key properties of 6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2532080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).