(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid

C10H14N4O5S — CID 107642531

IUPAC(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid
SMILESCCc1nnc(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)s1
InChIInChI=1S/C10H14N4O5S/c1-2-6-13-14-10(20-6)12-9(19)11-5(8(17)18)3-4-7(15)16/h5H,2-4H2,1H3,(H,15,16)(H,17,18)(H2,11,12,14,19)/t5-/m0/s1
InChIKeyHLKWRMHHTNOMIY-YFKPBYRVSA-N
MW302.31 g/mol
LogP0.54
Rot. Bonds7

About (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid

(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid (PubChem CID 107642531) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid
PubChem CID107642531
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid
SMILESCCc1nnc(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)s1
InChIInChI=1S/C10H14N4O5S/c1-2-6-13-14-10(20-6)12-9(19)11-5(8(17)18)3-4-7(15)16/h5H,2-4H2,1H3,(H,15,16)(H,17,18)(H2,11,12,14,19)/t5-/m0/s1
InChIKeyHLKWRMHHTNOMIY-YFKPBYRVSA-N
XLogP0.54
TPSA141.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid
CID 61193061
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 107648177
(2R)-4-methyl-2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]pentanoic acid
CID 106262198
2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid
CID 107642562
(2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 114005864
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473151
(2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid
CID 61185937
(2S)-4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873953
(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 107566477
(2S)-2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106005543
3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]pentanoic acid
CID 106262242
(2S)-2-[[(1R)-1-carboxy-2-(111C)methylsulfanylethyl]carbamoylamino]pentanedioic acid
CID 59768729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid (CID 107642531) is (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid is CCc1nnc(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)s1.
What is the InChIKey of (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid?
The InChIKey is HLKWRMHHTNOMIY-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H14N4O5S/c1-2-6-13-14-10(20-6)12-9(19)11-5(8(17)18)3-4-7(15)16/h5H,2-4H2,1H3,(H,15,16)(H,17,18)(H2,11,12,14,19)/t5-/m0/s1.
What are the key properties of (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid?
(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid has a molecular weight of 302.31 g/mol, XLogP of 0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid is sourced from PubChem (CID 107642531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).