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

C11H17N3O2S — CID 122062834

IUPAC(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1nc(C2CC2)ns1)C(=O)O
InChIInChI=1S/C11H17N3O2S/c1-2-3-4-8(10(15)16)12-11-13-9(14-17-11)7-5-6-7/h7-8H,2-6H2,1H3,(H,15,16)(H,12,13,14)/t8-/m0/s1
InChIKeyGLTNDOCZTJPFFX-QMMMGPOBSA-N
MW255.34 g/mol
LogP2.47
Rot. Bonds7

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

(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid (PubChem CID 122062834) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
PubChem CID122062834
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1nc(C2CC2)ns1)C(=O)O
InChIInChI=1S/C11H17N3O2S/c1-2-3-4-8(10(15)16)12-11-13-9(14-17-11)7-5-6-7/h7-8H,2-6H2,1H3,(H,15,16)(H,12,13,14)/t8-/m0/s1
InChIKeyGLTNDOCZTJPFFX-QMMMGPOBSA-N
XLogP2.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine
CID 80704893
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65270826
(2S,3S)-2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentanoic acid
CID 122106295
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide
CID 113408656
2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 43470226
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 79245937
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide
CID 133394625
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 65273610
(2S)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]hexanoic acid
CID 122062775
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271621
(2S)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062866

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid (CID 122062834) is (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid is CCCC[C@H](Nc1nc(C2CC2)ns1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid?
The InChIKey is GLTNDOCZTJPFFX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-3-4-8(10(15)16)12-11-13-9(14-17-11)7-5-6-7/h7-8H,2-6H2,1H3,(H,15,16)(H,12,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid?
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid has a molecular weight of 255.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid is sourced from PubChem (CID 122062834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).