2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C11H15N7OS2 — CID 17017872

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1
InChIInChI=1S/C11H15N7OS2/c1-2-3-9-17-18-11(21-9)16-8(19)5-20-10-14-6(12)4-7(13)15-10/h4H,2-3,5H2,1H3,(H,16,18,19)(H4,12,13,14,15)
InChIKeyYTFXNZOOCIRHSD-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.18
Rot. Bonds6

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 17017872) has the molecular formula C11H15N7OS2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID17017872
Molecular FormulaC11H15N7OS2
Molecular Weight325.42 g/mol
Exact Mass325.08
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1
InChIInChI=1S/C11H15N7OS2/c1-2-3-9-17-18-11(21-9)16-8(19)5-20-10-14-6(12)4-7(13)15-10/h4H,2-3,5H2,1H3,(H,16,18,19)(H4,12,13,14,15)
InChIKeyYTFXNZOOCIRHSD-UHFFFAOYSA-N
XLogP1.18
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 17017872) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YTFXNZOOCIRHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS2/c1-2-3-9-17-18-11(21-9)16-8(19)5-20-10-14-6(12)4-7(13)15-10/h4H,2-3,5H2,1H3,(H,16,18,19)(H4,12,13,14,15).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 17017872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).