5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid

C11H11F3N2O3S — CID 126739508

IUPAC5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(C(=O)N2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)6-1-3-16(4-2-6)9(17)7-5-15-8(20-7)10(18)19/h5-6H,1-4H2,(H,18,19)
InChIKeyHYTPSKCWRADWRI-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.26
Rot. Bonds2

About 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid

5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 126739508) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid
PubChem CID126739508
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC Name5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(C(=O)N2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)6-1-3-16(4-2-6)9(17)7-5-15-8(20-7)10(18)19/h5-6H,1-4H2,(H,18,19)
InChIKeyHYTPSKCWRADWRI-UHFFFAOYSA-N
XLogP2.26
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid (CID 126739508) is 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1ncc(C(=O)N2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is HYTPSKCWRADWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c12-11(13,14)6-1-3-16(4-2-6)9(17)7-5-15-8(20-7)10(18)19/h5-6H,1-4H2,(H,18,19).
What are the key properties of 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid?
5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 308.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 126739508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).