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

C12H17N3O2S — CID 65272703

IUPAC4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C12H17N3O2S/c16-11(17)8-3-5-9(6-4-8)13-12-14-10(15-18-12)7-1-2-7/h7-9H,1-6H2,(H,16,17)(H,13,14,15)
InChIKeyCDKSGBRAUHEFSB-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.47
Rot. Bonds4

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

4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 65272703) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID65272703
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C12H17N3O2S/c16-11(17)8-3-5-9(6-4-8)13-12-14-10(15-18-12)7-1-2-7/h7-9H,1-6H2,(H,16,17)(H,13,14,15)
InChIKeyCDKSGBRAUHEFSB-UHFFFAOYSA-N
XLogP2.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide
CID 154866943
[(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol
CID 130758092
methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
CID 97319865
4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65208967
3-cyclopropyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276548
N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine
CID 112681783
N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 138007267
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270882
2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol
CID 133496128
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65270826
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271621

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid (CID 65272703) is 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2nc(C3CC3)ns2)CC1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CDKSGBRAUHEFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-11(17)8-3-5-9(6-4-8)13-12-14-10(15-18-12)7-1-2-7/h7-9H,1-6H2,(H,16,17)(H,13,14,15).
What are the key properties of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid?
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65272703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).