5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid

C9H8N4O4S — CID 114913031

IUPAC5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)o1)Nc1cnns1
InChIInChI=1S/C9H8N4O4S/c14-8(15)6-2-1-5(17-6)3-10-9(16)12-7-4-11-13-18-7/h1-2,4H,3H2,(H,14,15)(H2,10,12,16)
InChIKeyPSTSIEIOZBBJKN-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.15
Rot. Bonds4

About 5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid

5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid (PubChem CID 114913031) has the molecular formula C9H8N4O4S and a molecular weight of 268.25 g/mol. Its IUPAC name is 5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid
PubChem CID114913031
Molecular FormulaC9H8N4O4S
Molecular Weight268.25 g/mol
Exact Mass268.03
IUPAC Name5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)o1)Nc1cnns1
InChIInChI=1S/C9H8N4O4S/c14-8(15)6-2-1-5(17-6)3-10-9(16)12-7-4-11-13-18-7/h1-2,4H,3H2,(H,14,15)(H2,10,12,16)
InChIKeyPSTSIEIOZBBJKN-UHFFFAOYSA-N
XLogP1.15
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(5-methyl-2-furyl)methyl]-N'-1,2,3-thiadiazol-5-ylurea
CID 72902437
1-(Furan-2-ylmethyl)-3-(thiadiazol-5-yl)urea
CID 86025592
1-[(5-Methylfuran-2-yl)methyl]-3-(thiadiazol-5-yl)urea
CID 118947605
5-[(Thiadiazole-5-carbonylamino)methyl]furan-2-carboxylic acid
CID 80004687
5-[[3-(Triazol-1-yl)propanoylamino]methyl]furan-2-carboxylic acid
CID 80005635
5-ethyl-N-(thiadiazol-5-yl)furan-2-carboxamide
CID 100655077
5-[[2-(Triazol-1-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 104443051
5-[[2-(Triazol-1-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid
CID 104447844
5-[[3-(Triazol-1-yl)propylcarbamoylamino]methyl]furan-2-carboxylic acid
CID 104448067
5-[3-(Triazol-1-yl)propylcarbamoyl]furan-2-carboxylic acid
CID 104448577
Methyl 5-[(thiadiazol-5-ylamino)methyl]furan-2-carboxylate
CID 107649419
[5-[(Thiadiazol-5-ylamino)methyl]furan-2-yl]methanol
CID 107649617

Frequently Asked Questions

What is the IUPAC name of 5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid (CID 114913031) is 5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid is O=C(NCc1ccc(C(=O)O)o1)Nc1cnns1.
What is the InChIKey of 5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
The InChIKey is PSTSIEIOZBBJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4S/c14-8(15)6-2-1-5(17-6)3-10-9(16)12-7-4-11-13-18-7/h1-2,4H,3H2,(H,14,15)(H2,10,12,16).
What are the key properties of 5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid?
5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid has a molecular weight of 268.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 114913031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).