(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid

C8H11N3O4S — CID 65206273

IUPAC(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCCc1nnsc1C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C8H11N3O4S/c1-2-4-6(16-11-10-4)7(13)9-5(3-12)8(14)15/h5,12H,2-3H2,1H3,(H,9,13)(H,14,15)/t5-/m0/s1
InChIKeyJIGDAGKEUSQXCW-YFKPBYRVSA-N
MW245.26 g/mol
LogP-0.72
Rot. Bonds5

About (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid

(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 65206273) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID65206273
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCCc1nnsc1C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C8H11N3O4S/c1-2-4-6(16-11-10-4)7(13)9-5(3-12)8(14)15/h5,12H,2-3H2,1H3,(H,9,13)(H,14,15)/t5-/m0/s1
InChIKeyJIGDAGKEUSQXCW-YFKPBYRVSA-N
XLogP-0.72
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823345
(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 114004767
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
(2S)-2-[[2-[(4-ethylthiadiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694717
N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide
CID 62046686
N-[(1R)-1-cyclopropylethyl]-4-ethylthiadiazole-5-carboxamide
CID 30796558
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
CID 113440692
4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
CID 39966907
N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide
CID 96996379
2-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474145
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
(2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 104894365

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid (CID 65206273) is (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid is CCc1nnsc1C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is JIGDAGKEUSQXCW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-2-4-6(16-11-10-4)7(13)9-5(3-12)8(14)15/h5,12H,2-3H2,1H3,(H,9,13)(H,14,15)/t5-/m0/s1.
What are the key properties of (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid?
(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 245.26 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 65206273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).