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

C14H23N3O2S — CID 65270815

IUPAC4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCCc1nsc(NC2(C(=O)O)CCC(CC)CC2)n1
InChIInChI=1S/C14H23N3O2S/c1-3-5-11-15-13(20-17-11)16-14(12(18)19)8-6-10(4-2)7-9-14/h10H,3-9H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyJMVLXKUOWZJBSU-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.33
Rot. Bonds6

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

4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 65270815) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID65270815
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCCc1nsc(NC2(C(=O)O)CCC(CC)CC2)n1
InChIInChI=1S/C14H23N3O2S/c1-3-5-11-15-13(20-17-11)16-14(12(18)19)8-6-10(4-2)7-9-14/h10H,3-9H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyJMVLXKUOWZJBSU-UHFFFAOYSA-N
XLogP3.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid
CID 81165137
4-ethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65209360
[1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol
CID 65276919
1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61292663
N-[(4-chlorocyclohexyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 106125743
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 80746554
1-[(2,6-dimethylpyrimidin-4-yl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61292857
2-amino-N-(3-propyl-1,2,4-thiadiazol-5-yl)acetamide
CID 130736061
4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
CID 60992420
4-ethyl-1-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61196284
4-ethyl-1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 113432061
3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 106128094

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid (CID 65270815) is 4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid is CCCc1nsc(NC2(C(=O)O)CCC(CC)CC2)n1.
What is the InChIKey of 4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JMVLXKUOWZJBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-5-11-15-13(20-17-11)16-14(12(18)19)8-6-10(4-2)7-9-14/h10H,3-9H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65270815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).