2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid

C9H14N4O2S — CID 65267716

IUPAC2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
SMILESCc1nsc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C9H14N4O2S/c1-7-10-9(16-11-7)13-4-2-12(3-5-13)6-8(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyLZAJSSKAABCVBG-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.05
Rot. Bonds3

About 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid

2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid (PubChem CID 65267716) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
PubChem CID65267716
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
SMILESCc1nsc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C9H14N4O2S/c1-7-10-9(16-11-7)13-4-2-12(3-5-13)6-8(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyLZAJSSKAABCVBG-UHFFFAOYSA-N
XLogP0.05
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258403
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetic acid
CID 107304271
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304287
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanoic acid
CID 107304316
2-[2-(Dimethylamino)ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 113957568
3-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
CID 65267717
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
CID 65267718
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetic acid
CID 65267837
2-[Ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65267839
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid
CID 65267894
2-[Cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267951
2-[Butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267952

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid (CID 65267716) is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid is Cc1nsc(N2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The InChIKey is LZAJSSKAABCVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-7-10-9(16-11-7)13-4-2-12(3-5-13)6-8(14)15/h2-6H2,1H3,(H,14,15).
What are the key properties of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid has a molecular weight of 242.30 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 65267716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).