2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C10H19N5OS+2 — CID 6989665

IUPAC2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)C[NH+]2CC[NH+](C)CC2)s1
InChIInChI=1S/C10H17N5OS/c1-8-12-13-10(17-8)11-9(16)7-15-5-3-14(2)4-6-15/h3-7H2,1-2H3,(H,11,13,16)/p+2
InChIKeyHHLWVQWAXYPOOX-UHFFFAOYSA-P
MW257.36 g/mol
LogP-2.80
Rot. Bonds3

About 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6989665) has the molecular formula C10H19N5OS+2 and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6989665
Molecular FormulaC10H19N5OS+2
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)C[NH+]2CC[NH+](C)CC2)s1
InChIInChI=1S/C10H17N5OS/c1-8-12-13-10(17-8)11-9(16)7-15-5-3-14(2)4-6-15/h3-7H2,1-2H3,(H,11,13,16)/p+2
InChIKeyHHLWVQWAXYPOOX-UHFFFAOYSA-P
XLogP-2.80
TPSA63.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-2.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)ethanediamide
CID 1860900
Acetamide, 2-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 1091545
4-Morpholineacetamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 1219971
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(methylsulfonyl)piperazin-1-yl]acetamide
CID 17376136
1-Piperidineacetamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 787680
4-Morpholineacetamide, N-(5-propyl-1,3,4-thiadiazol-2-yl)-
CID 652903
4-Morpholineacetamide, N-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 1091543
Acetamide, 2-(dimethylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 1091546
2-(4-Methyl-piperazin-1-yl)-N-(5-propyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 2960408
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propyl-1-piperazinyl)acetamide
CID 6465732
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide
CID 6465949
2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6467563

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 6989665) is 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)C[NH+]2CC[NH+](C)CC2)s1.
What is the InChIKey of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HHLWVQWAXYPOOX-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H17N5OS/c1-8-12-13-10(17-8)11-9(16)7-15-5-3-14(2)4-6-15/h3-7H2,1-2H3,(H,11,13,16)/p+2.
What are the key properties of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 257.36 g/mol, XLogP of -2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6989665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).