1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H10F3N3O3S — CID 63708348

IUPAC1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H10F3N3O3S/c1-5-6(20-15-14-5)7(17)16-3-2-9(4-16,8(18)19)10(11,12)13/h2-4H2,1H3,(H,18,19)
InChIKeyUWRTWSJOJSJZEU-UHFFFAOYSA-N
MW309.27 g/mol
LogP1.33
Rot. Bonds2

About 1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708348) has the molecular formula C10H10F3N3O3S and a molecular weight of 309.27 g/mol. Its IUPAC name is 1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708348
Molecular FormulaC10H10F3N3O3S
Molecular Weight309.27 g/mol
Exact Mass309.04
IUPAC Name1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H10F3N3O3S/c1-5-6(20-15-14-5)7(17)16-3-2-9(4-16,8(18)19)10(11,12)13/h2-4H2,1H3,(H,18,19)
InChIKeyUWRTWSJOJSJZEU-UHFFFAOYSA-N
XLogP1.33
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Ethylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65205296
2-[(4-Methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261804
1-(4-Ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259386
3-Fluoro-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120491777
(3S,4S)-1-(4-ethylthiadiazole-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950467
(3-Fluoro-3-methylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 126776448
(3,3-Dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 69203841
4-[Methyl-(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
CID 43151811
3-[(4-Methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid
CID 54926883
4-[(4-Methylthiadiazole-5-carbonyl)-propan-2-ylamino]butanoic acid
CID 60825087
3-[Tert-butyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
CID 60826961
3-[Methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
CID 60988402

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708348) is 1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is Cc1nnsc1C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UWRTWSJOJSJZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3S/c1-5-6(20-15-14-5)7(17)16-3-2-9(4-16,8(18)19)10(11,12)13/h2-4H2,1H3,(H,18,19).
What are the key properties of 1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 309.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiadiazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).