2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid

C9H13N5O4S — CID 107642562

IUPAC2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid
SMILESCCc1nnc(NC(=O)NCC(=O)NCC(=O)O)s1
InChIInChI=1S/C9H13N5O4S/c1-2-6-13-14-9(19-6)12-8(18)11-3-5(15)10-4-7(16)17/h2-4H2,1H3,(H,10,15)(H,16,17)(H2,11,12,14,18)
InChIKeyUEUTZEBMVBZILD-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.58
Rot. Bonds6

About 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid

2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid (PubChem CID 107642562) has the molecular formula C9H13N5O4S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid
PubChem CID107642562
Molecular FormulaC9H13N5O4S
Molecular Weight287.30 g/mol
Exact Mass287.07
IUPAC Name2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid
SMILESCCc1nnc(NC(=O)NCC(=O)NCC(=O)O)s1
InChIInChI=1S/C9H13N5O4S/c1-2-6-13-14-9(19-6)12-8(18)11-3-5(15)10-4-7(16)17/h2-4H2,1H3,(H,10,15)(H,16,17)(H2,11,12,14,18)
InChIKeyUEUTZEBMVBZILD-UHFFFAOYSA-N
XLogP-0.58
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetyl]amino]acetic acid
CID 106262181
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120456
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473151
2-[[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107642508
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid
CID 107642531
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107641479
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2231526
4-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoylamino]butanoic acid
CID 122074087

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid (CID 107642562) is 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid is CCc1nnc(NC(=O)NCC(=O)NCC(=O)O)s1.
What is the InChIKey of 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is UEUTZEBMVBZILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4S/c1-2-6-13-14-9(19-6)12-8(18)11-3-5(15)10-4-7(16)17/h2-4H2,1H3,(H,10,15)(H,16,17)(H2,11,12,14,18).
What are the key properties of 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 287.30 g/mol, XLogP of -0.58, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 107642562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).