2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C10H12N4O2S2 — CID 66373952

IUPAC2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1nsc(NCCc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C10H12N4O2S2/c1-2-7-13-10(18-14-7)11-4-3-8-12-6(5-17-8)9(15)16/h5H,2-4H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyFWCKMWAJFOMZAY-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66373952) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66373952
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1nsc(NCCc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C10H12N4O2S2/c1-2-7-13-10(18-14-7)11-4-3-8-12-6(5-17-8)9(15)16/h5H,2-4H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyFWCKMWAJFOMZAY-UHFFFAOYSA-N
XLogP1.91
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379538
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878
2-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 115354779
2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82302250
2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114806546
2-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374838
2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 135116889
2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374330
4-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzoic acid
CID 65273614
2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373894
2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 110461569
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66373952) is 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is CCc1nsc(NCCc2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FWCKMWAJFOMZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-2-7-13-10(18-14-7)11-4-3-8-12-6(5-17-8)9(15)16/h5H,2-4H2,1H3,(H,15,16)(H,11,13,14).
What are the key properties of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 284.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66373952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).