N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide

C12H16N6OS2 — CID 135097354

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide
SMILESCCSc1nnc(NC(=O)CN(C)Cc2cnccn2)s1
InChIInChI=1S/C12H16N6OS2/c1-3-20-12-17-16-11(21-12)15-10(19)8-18(2)7-9-6-13-4-5-14-9/h4-6H,3,7-8H2,1-2H3,(H,15,16,19)
InChIKeyKDYNTSVGKMKEFD-UHFFFAOYSA-N
MW324.44 g/mol
LogP1.51
Rot. Bonds7

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide (PubChem CID 135097354) has the molecular formula C12H16N6OS2 and a molecular weight of 324.44 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide
PubChem CID135097354
Molecular FormulaC12H16N6OS2
Molecular Weight324.44 g/mol
Exact Mass324.08
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide
SMILESCCSc1nnc(NC(=O)CN(C)Cc2cnccn2)s1
InChIInChI=1S/C12H16N6OS2/c1-3-20-12-17-16-11(21-12)15-10(19)8-18(2)7-9-6-13-4-5-14-9/h4-6H,3,7-8H2,1-2H3,(H,15,16,19)
InChIKeyKDYNTSVGKMKEFD-UHFFFAOYSA-N
XLogP1.51
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide (CID 135097354) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide is CCSc1nnc(NC(=O)CN(C)Cc2cnccn2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide?
The InChIKey is KDYNTSVGKMKEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS2/c1-3-20-12-17-16-11(21-12)15-10(19)8-18(2)7-9-6-13-4-5-14-9/h4-6H,3,7-8H2,1-2H3,(H,15,16,19).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide has a molecular weight of 324.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 135097354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).