2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid

C10H17N3O2S — CID 122060590

IUPAC2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nnc(C(C)C)s1)C(=O)O
InChIInChI=1S/C10H17N3O2S/c1-4-5-7(9(14)15)11-10-13-12-8(16-10)6(2)3/h6-7H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyQYWHNTCHRWLIJK-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.33
Rot. Bonds6

About 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid

2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid (PubChem CID 122060590) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
PubChem CID122060590
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nnc(C(C)C)s1)C(=O)O
InChIInChI=1S/C10H17N3O2S/c1-4-5-7(9(14)15)11-10-13-12-8(16-10)6(2)3/h6-7H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyQYWHNTCHRWLIJK-UHFFFAOYSA-N
XLogP2.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid
CID 122060563
(2S)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]hexanoic acid
CID 122062775
2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4161855
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
CID 122062814
S-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl] ethanethioate
CID 17308981
(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122049091
2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 2963228
(2S)-2-anilinopentanoic acid
CID 22847649
2-[(6-methylpyridazin-3-yl)amino]pentanoic acid
CID 114989428
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
2-(4-ethylanilino)pentanoic acid
CID 83038138

Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid (CID 122060590) is 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid is CCCC(Nc1nnc(C(C)C)s1)C(=O)O.
What is the InChIKey of 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The InChIKey is QYWHNTCHRWLIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-5-7(9(14)15)11-10-13-12-8(16-10)6(2)3/h6-7H,4-5H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid has a molecular weight of 243.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122060590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).