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

C11H17N3O2S — CID 65270845

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1nsc(NC2CCCCC2C(=O)O)n1
InChIInChI=1S/C11H17N3O2S/c1-2-9-13-11(17-14-9)12-8-6-4-3-5-7(8)10(15)16/h7-8H,2-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyJIXWXMSGJSSSRC-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.16
Rot. Bonds4

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

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 65270845) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID65270845
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1nsc(NC2CCCCC2C(=O)O)n1
InChIInChI=1S/C11H17N3O2S/c1-2-9-13-11(17-14-9)12-8-6-4-3-5-7(8)10(15)16/h7-8H,2-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyJIXWXMSGJSSSRC-UHFFFAOYSA-N
XLogP2.16
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 130758070
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid
CID 105362156
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide
CID 133430381
N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 115886007
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 86788817
[1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol
CID 115886146
N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 97307566
N-[(1R,2S,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 98870976
2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 112636132
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid (CID 65270845) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid is CCc1nsc(NC2CCCCC2C(=O)O)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JIXWXMSGJSSSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-9-13-11(17-14-9)12-8-6-4-3-5-7(8)10(15)16/h7-8H,2-6H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65270845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).