N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide

C11H11N7OS2 — CID 648658

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc3ncccn23)s1
InChIInChI=1S/C11H11N7OS2/c1-2-8-14-16-10(21-8)13-7(19)6-20-11-17-15-9-12-4-3-5-18(9)11/h3-5H,2,6H2,1H3,(H,13,16,19)
InChIKeyKPMSPLRGKJBXET-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.27
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide (PubChem CID 648658) has the molecular formula C11H11N7OS2 and a molecular weight of 321.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
PubChem CID648658
Molecular FormulaC11H11N7OS2
Molecular Weight321.39 g/mol
Exact Mass321.05
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc3ncccn23)s1
InChIInChI=1S/C11H11N7OS2/c1-2-8-14-16-10(21-8)13-7(19)6-20-11-17-15-9-12-4-3-5-18(9)11/h3-5H,2,6H2,1H3,(H,13,16,19)
InChIKeyKPMSPLRGKJBXET-UHFFFAOYSA-N
XLogP1.27
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-Methyl-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-acetamide
CID 24793460
N-(5-Methyl-[1,3,4]thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-acetamide
CID 24793462
N-(4-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
CID 653439
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 2928978
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 709550
Cambridge id 7126499
CID 1075880
2-((4-methyl-5-((pyrimidin-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CID 2145074
3-([1,2,4]Triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 41490939
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide
CID 755252
2-{[5-fluoro-4-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17740861
N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
CID 1458096
N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
CID 1458103

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide (CID 648658) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide is CCc1nnc(NC(=O)CSc2nnc3ncccn23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The InChIKey is KPMSPLRGKJBXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7OS2/c1-2-8-14-16-10(21-8)13-7(19)6-20-11-17-15-9-12-4-3-5-18(9)11/h3-5H,2,6H2,1H3,(H,13,16,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide has a molecular weight of 321.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 648658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).