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

C9H13N5O3S — CID 61192473

IUPAC2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C9H13N5O3S/c15-7(16)5-13-1-3-14(4-2-13)9(17)11-8-12-10-6-18-8/h6H,1-5H2,(H,15,16)(H,11,12,17)
InChIKeyGXNVGCYCYNWBTE-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.23
Rot. Bonds3

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

2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid (PubChem CID 61192473) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid
PubChem CID61192473
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C9H13N5O3S/c15-7(16)5-13-1-3-14(4-2-13)9(17)11-8-12-10-6-18-8/h6H,1-5H2,(H,15,16)(H,11,12,17)
InChIKeyGXNVGCYCYNWBTE-UHFFFAOYSA-N
XLogP-0.23
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid (CID 61192473) is 2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)Nc2nncs2)CC1.
What is the InChIKey of 2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid?
The InChIKey is GXNVGCYCYNWBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c15-7(16)5-13-1-3-14(4-2-13)9(17)11-8-12-10-6-18-8/h6H,1-5H2,(H,15,16)(H,11,12,17).
What are the key properties of 2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid?
2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid has a molecular weight of 271.30 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3,4-thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 61192473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).