2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid

C7H9N5O4S — CID 61192364

IUPAC2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Nc1nncs1
InChIInChI=1S/C7H9N5O4S/c13-4(8-2-5(14)15)1-9-6(16)11-7-12-10-3-17-7/h3H,1-2H2,(H,8,13)(H,14,15)(H2,9,11,12,16)
InChIKeySMQVRMMLSIEDQY-UHFFFAOYSA-N
MW259.25 g/mol
LogP-1.14
Rot. Bonds5

About 2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 61192364) has the molecular formula C7H9N5O4S and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID61192364
Molecular FormulaC7H9N5O4S
Molecular Weight259.25 g/mol
Exact Mass259.04
IUPAC Name2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Nc1nncs1
InChIInChI=1S/C7H9N5O4S/c13-4(8-2-5(14)15)1-9-6(16)11-7-12-10-3-17-7/h3H,1-2H2,(H,8,13)(H,14,15)(H2,9,11,12,16)
InChIKeySMQVRMMLSIEDQY-UHFFFAOYSA-N
XLogP-1.14
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid (CID 61192364) is 2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)Nc1nncs1.
What is the InChIKey of 2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is SMQVRMMLSIEDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O4S/c13-4(8-2-5(14)15)1-9-6(16)11-7-12-10-3-17-7/h3H,1-2H2,(H,8,13)(H,14,15)(H2,9,11,12,16).
What are the key properties of 2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 259.25 g/mol, XLogP of -1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 61192364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).