2-(thiadiazol-5-ylcarbamoylamino)acetic acid

C5H6N4O3S — CID 114913165

IUPAC2-(thiadiazol-5-ylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)Nc1cnns1
InChIInChI=1S/C5H6N4O3S/c10-4(11)2-6-5(12)8-3-1-7-9-13-3/h1H,2H2,(H,10,11)(H2,6,8,12)
InChIKeyCWAFCRNSBDEQJR-UHFFFAOYSA-N
MW202.19 g/mol
LogP-0.26
Rot. Bonds3

About 2-(thiadiazol-5-ylcarbamoylamino)acetic acid

2-(thiadiazol-5-ylcarbamoylamino)acetic acid (PubChem CID 114913165) has the molecular formula C5H6N4O3S and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-(thiadiazol-5-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(thiadiazol-5-ylcarbamoylamino)acetic acid
PubChem CID114913165
Molecular FormulaC5H6N4O3S
Molecular Weight202.19 g/mol
Exact Mass202.02
IUPAC Name2-(thiadiazol-5-ylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)Nc1cnns1
InChIInChI=1S/C5H6N4O3S/c10-4(11)2-6-5(12)8-3-1-7-9-13-3/h1H,2H2,(H,10,11)(H2,6,8,12)
InChIKeyCWAFCRNSBDEQJR-UHFFFAOYSA-N
XLogP-0.26
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-5-ylcarbamoylamino)acetic acid?
The IUPAC name of 2-(thiadiazol-5-ylcarbamoylamino)acetic acid (CID 114913165) is 2-(thiadiazol-5-ylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(thiadiazol-5-ylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(thiadiazol-5-ylcarbamoylamino)acetic acid is O=C(O)CNC(=O)Nc1cnns1.
What is the InChIKey of 2-(thiadiazol-5-ylcarbamoylamino)acetic acid?
The InChIKey is CWAFCRNSBDEQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3S/c10-4(11)2-6-5(12)8-3-1-7-9-13-3/h1H,2H2,(H,10,11)(H2,6,8,12).
What are the key properties of 2-(thiadiazol-5-ylcarbamoylamino)acetic acid?
2-(thiadiazol-5-ylcarbamoylamino)acetic acid has a molecular weight of 202.19 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-5-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 114913165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).