2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3N3O3S — CID 79264820

IUPAC2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCc1nnsc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H12F3N3O3S/c1-2-3-6-8(20-15-14-6)9(19)16(4-7(17)18)5-10(11,12)13/h2-5H2,1H3,(H,17,18)
InChIKeyCMUHKUQAMGOGFC-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.58
Rot. Bonds6

About 2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264820) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264820
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC Name2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCc1nnsc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H12F3N3O3S/c1-2-3-6-8(20-15-14-6)9(19)16(4-7(17)18)5-10(11,12)13/h2-5H2,1H3,(H,17,18)
InChIKeyCMUHKUQAMGOGFC-UHFFFAOYSA-N
XLogP1.58
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264820) is 2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCCc1nnsc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CMUHKUQAMGOGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3S/c1-2-3-6-8(20-15-14-6)9(19)16(4-7(17)18)5-10(11,12)13/h2-5H2,1H3,(H,17,18).
What are the key properties of 2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 311.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).