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

C11H18N4O2S — CID 65273002

IUPAC2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
SMILESCC(C)c1nsc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-8(2)10-12-11(18-13-10)15-5-3-14(4-6-15)7-9(16)17/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyTZFJVUKQMNYCQJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.87
Rot. Bonds4

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

2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid (PubChem CID 65273002) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
PubChem CID65273002
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
SMILESCC(C)c1nsc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-8(2)10-12-11(18-13-10)15-5-3-14(4-6-15)7-9(16)17/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyTZFJVUKQMNYCQJ-UHFFFAOYSA-N
XLogP0.87
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
CID 75377879
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258566
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetic acid
CID 107304271
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
CID 65267716
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-[Cyclopropylmethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267778
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetic acid
CID 65267837
2-[Butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267952
2-[2-Methylpropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65267954
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid
CID 65268069
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
CID 65270101

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid (CID 65273002) is 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid is CC(C)c1nsc(N2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The InChIKey is TZFJVUKQMNYCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8(2)10-12-11(18-13-10)15-5-3-14(4-6-15)7-9(16)17/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid has a molecular weight of 270.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 65273002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).