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

C8H11N3O3S — CID 62033511

IUPAC(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCc1nnsc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C8H11N3O3S/c1-3-5-6(15-11-10-5)7(12)9-4(2)8(13)14/h4H,3H2,1-2H3,(H,9,12)(H,13,14)/t4-/m0/s1
InChIKeyQVMQLOFMWXJREU-BYPYZUCNSA-N
MW229.26 g/mol
LogP0.30
Rot. Bonds4

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

(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 62033511) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID62033511
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCc1nnsc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C8H11N3O3S/c1-3-5-6(15-11-10-5)7(12)9-4(2)8(13)14/h4H,3H2,1-2H3,(H,9,12)(H,13,14)/t4-/m0/s1
InChIKeyQVMQLOFMWXJREU-BYPYZUCNSA-N
XLogP0.30
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate
CID 60693506
N-cycloheptyl-4-ethylthiadiazole-5-carboxamide
CID 9192469
2-[(4-Ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990498
2-[(4-Propan-2-ylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261719
2-[(4-Propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264820
2-[(4-Tert-butylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791678
3,3,3-Trifluoro-2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
CID 79795303
3,3,3-Trifluoro-2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 79795472
2-[(4-Ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796324
N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
CID 103770476
N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
CID 104858059
4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 113249075

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid (CID 62033511) is (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid is CCc1nnsc1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is QVMQLOFMWXJREU-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-3-5-6(15-11-10-5)7(12)9-4(2)8(13)14/h4H,3H2,1-2H3,(H,9,12)(H,13,14)/t4-/m0/s1.
What are the key properties of (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid?
(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62033511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).