5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid

C11H17N3O3S — CID 113440692

IUPAC5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
SMILESCCc1nnsc1C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-3-8-9(18-14-13-8)10(15)12-6-4-5-7(2)11(16)17/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyCGJPSTLAMCMLPA-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.33
Rot. Bonds7

About 5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid

5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 113440692) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
PubChem CID113440692
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
SMILESCCc1nnsc1C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-3-8-9(18-14-13-8)10(15)12-6-4-5-7(2)11(16)17/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyCGJPSTLAMCMLPA-UHFFFAOYSA-N
XLogP1.33
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate
CID 51256575
(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823345
(2S)-2-[[2-[(4-ethylthiadiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694717
(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 65206273
4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide
CID 103800680
2-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474145
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
N-(3-bromobutyl)-4-propylthiadiazole-5-carboxamide
CID 114312667

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid (CID 113440692) is 5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid is CCc1nnsc1C(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is CGJPSTLAMCMLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-8-9(18-14-13-8)10(15)12-6-4-5-7(2)11(16)17/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid?
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 113440692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).