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

C9H10F3N3O3S — CID 79796324

IUPAC2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCc1nnsc1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O3S/c1-3-4-5(19-15-14-4)6(16)13-8(2,7(17)18)9(10,11)12/h3H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyMIABEHOBHLCRRY-UHFFFAOYSA-N
MW297.26 g/mol
LogP1.24
Rot. Bonds4

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

2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79796324) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79796324
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC Name2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCc1nnsc1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O3S/c1-3-4-5(19-15-14-4)6(16)13-8(2,7(17)18)9(10,11)12/h3H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyMIABEHOBHLCRRY-UHFFFAOYSA-N
XLogP1.24
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265063
2-[(4-Tert-butylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791678
3,3,3-Trifluoro-2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
CID 79793534
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
N-(2-cyclopropyl-1,1,1-trifluoropropan-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 146127806
2-Methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 43619095
N-tert-butyl-4-ethylthiadiazole-5-carboxamide
CID 60665041
1-[(4-Ethylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 60749205

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79796324) is 2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CCc1nnsc1C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is MIABEHOBHLCRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3S/c1-3-4-5(19-15-14-4)6(16)13-8(2,7(17)18)9(10,11)12/h3H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 297.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79796324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).