2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid

C8H10N4O5S — CID 61193061

IUPAC2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CCC(NC(=O)Nc1nncs1)C(=O)O
InChIInChI=1S/C8H10N4O5S/c13-5(14)2-1-4(6(15)16)10-7(17)11-8-12-9-3-18-8/h3-4H,1-2H2,(H,13,14)(H,15,16)(H2,10,11,12,17)
InChIKeyYQNOEIVMTNCNRN-UHFFFAOYSA-N
MW274.26 g/mol
LogP-0.02
Rot. Bonds6

About 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid

2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid (PubChem CID 61193061) has the molecular formula C8H10N4O5S and a molecular weight of 274.26 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid
PubChem CID61193061
Molecular FormulaC8H10N4O5S
Molecular Weight274.26 g/mol
Exact Mass274.04
IUPAC Name2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CCC(NC(=O)Nc1nncs1)C(=O)O
InChIInChI=1S/C8H10N4O5S/c13-5(14)2-1-4(6(15)16)10-7(17)11-8-12-9-3-18-8/h3-4H,1-2H2,(H,13,14)(H,15,16)(H2,10,11,12,17)
InChIKeyYQNOEIVMTNCNRN-UHFFFAOYSA-N
XLogP-0.02
TPSA141.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-(1H-imidazol-5-yl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 61192360
(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid
CID 107642531
(2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid
CID 61185937
2-methyl-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 80540120
(2S)-3,3-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61193385
5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 61481097
(2S)-2-[(3,5-difluorophenyl)carbamoylamino]pentanedioic acid
CID 61189405
2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
CID 3580525
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]pentanedioic acid
CID 61191038
1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024683
3-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]butanoic acid
CID 65217758

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid (CID 61193061) is 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid is O=C(O)CCC(NC(=O)Nc1nncs1)C(=O)O.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid?
The InChIKey is YQNOEIVMTNCNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O5S/c13-5(14)2-1-4(6(15)16)10-7(17)11-8-12-9-3-18-8/h3-4H,1-2H2,(H,13,14)(H,15,16)(H2,10,11,12,17).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid?
2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid has a molecular weight of 274.26 g/mol, XLogP of -0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid is sourced from PubChem (CID 61193061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).