N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C11H19N5O3S2 — CID 17376136

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C11H19N5O3S2/c1-3-10-13-14-11(20-10)12-9(17)8-15-4-6-16(7-5-15)21(2,18)19/h3-8H2,1-2H3,(H,12,14,17)
InChIKeyBDJOKMIURVUISB-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.38
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 17376136) has the molecular formula C11H19N5O3S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID17376136
Molecular FormulaC11H19N5O3S2
Molecular Weight333.44 g/mol
Exact Mass333.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C11H19N5O3S2/c1-3-10-13-14-11(20-10)12-9(17)8-15-4-6-16(7-5-15)21(2,18)19/h3-8H2,1-2H3,(H,12,14,17)
InChIKeyBDJOKMIURVUISB-UHFFFAOYSA-N
XLogP-0.38
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 17376136) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is CCc1nnc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is BDJOKMIURVUISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S2/c1-3-10-13-14-11(20-10)12-9(17)8-15-4-6-16(7-5-15)21(2,18)19/h3-8H2,1-2H3,(H,12,14,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 17376136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).