11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid

C16H23F3N2O3S — CID 84556520

IUPAC11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid
SMILESO=C(O)CCCCCCCCCCNC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O3S/c17-16(18,19)14-13(25-11-21-14)15(24)20-10-8-6-4-2-1-3-5-7-9-12(22)23/h11H,1-10H2,(H,20,24)(H,22,23)
InChIKeyMGOBTPALBLCCBA-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.49
Rot. Bonds12

About 11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid

11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid (PubChem CID 84556520) has the molecular formula C16H23F3N2O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid.

Molecular Properties

Compound Name11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid
PubChem CID84556520
Molecular FormulaC16H23F3N2O3S
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC Name11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid
SMILESO=C(O)CCCCCCCCCCNC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O3S/c17-16(18,19)14-13(25-11-21-14)15(24)20-10-8-6-4-2-1-3-5-7-9-12(22)23/h11H,1-10H2,(H,20,24)(H,22,23)
InChIKeyMGOBTPALBLCCBA-UHFFFAOYSA-N
XLogP4.49
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid?
The IUPAC name of 11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid (CID 84556520) is 11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid.
What is the SMILES notation for 11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid?
The canonical SMILES for 11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid is O=C(O)CCCCCCCCCCNC(=O)c1scnc1C(F)(F)F.
What is the InChIKey of 11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid?
The InChIKey is MGOBTPALBLCCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3S/c17-16(18,19)14-13(25-11-21-14)15(24)20-10-8-6-4-2-1-3-5-7-9-12(22)23/h11H,1-10H2,(H,20,24)(H,22,23).
What are the key properties of 11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid?
11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid has a molecular weight of 380.43 g/mol, XLogP of 4.49, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]undecanoic acid is sourced from PubChem (CID 84556520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).