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

C9H13N3O3S — CID 65206183

IUPAC3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1nnsc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-3-6-7(16-12-11-6)8(13)10-4-5(2)9(14)15/h5H,3-4H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyCOGJSWDGCIRWNR-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.55
Rot. Bonds5

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

3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 65206183) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
PubChem CID65206183
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1nnsc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-3-6-7(16-12-11-6)8(13)10-4-5(2)9(14)15/h5H,3-4H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyCOGJSWDGCIRWNR-UHFFFAOYSA-N
XLogP0.55
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
CID 113440692
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
2-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474145
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206184
N-(2-bromo-4,4-dimethylpentyl)-4-ethylthiadiazole-5-carboxamide
CID 107156459
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
N-(2-bromo-3-ethylpentyl)-4-ethylthiadiazole-5-carboxamide
CID 106288343
(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
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide
CID 65205425
(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823345
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid (CID 65206183) is 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid is CCc1nnsc1C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is COGJSWDGCIRWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-3-6-7(16-12-11-6)8(13)10-4-5(2)9(14)15/h5H,3-4H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 243.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65206183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).