2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C12H14ClF3N2O2S — CID 19884573

IUPAC2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESO=C(OCCN1CCCCC1)c1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O2S/c13-11-17-9(12(14,15)16)8(21-11)10(19)20-7-6-18-4-2-1-3-5-18/h1-7H2
InChIKeyPUDFJISVENDPLS-UHFFFAOYSA-N
MW342.77 g/mol
LogP3.46
Rot. Bonds4

About 2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 19884573) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID19884573
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC Name2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESO=C(OCCN1CCCCC1)c1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O2S/c13-11-17-9(12(14,15)16)8(21-11)10(19)20-7-6-18-4-2-1-3-5-18/h1-7H2
InChIKeyPUDFJISVENDPLS-UHFFFAOYSA-N
XLogP3.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 19884573) is 2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is O=C(OCCN1CCCCC1)c1sc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is PUDFJISVENDPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c13-11-17-9(12(14,15)16)8(21-11)10(19)20-7-6-18-4-2-1-3-5-18/h1-7H2.
What are the key properties of 2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 342.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 19884573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).