4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole

C9H10ClF3N2S — CID 83156608

IUPAC4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
SMILESFC(F)(F)C1CCCN(c2nc(Cl)cs2)C1
InChIInChI=1S/C9H10ClF3N2S/c10-7-5-16-8(14-7)15-3-1-2-6(4-15)9(11,12)13/h5-6H,1-4H2
InChIKeyKDCNZIFADYEHGC-UHFFFAOYSA-N
MW270.71 g/mol
LogP3.58
Rot. Bonds1

About 4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole

4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole (PubChem CID 83156608) has the molecular formula C9H10ClF3N2S and a molecular weight of 270.71 g/mol. Its IUPAC name is 4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
PubChem CID83156608
Molecular FormulaC9H10ClF3N2S
Molecular Weight270.71 g/mol
Exact Mass270.02
IUPAC Name4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
SMILESFC(F)(F)C1CCCN(c2nc(Cl)cs2)C1
InChIInChI=1S/C9H10ClF3N2S/c10-7-5-16-8(14-7)15-3-1-2-6(4-15)9(11,12)13/h5-6H,1-4H2
InChIKeyKDCNZIFADYEHGC-UHFFFAOYSA-N
XLogP3.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole (CID 83156608) is 4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole is FC(F)(F)C1CCCN(c2nc(Cl)cs2)C1.
What is the InChIKey of 4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is KDCNZIFADYEHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2S/c10-7-5-16-8(14-7)15-3-1-2-6(4-15)9(11,12)13/h5-6H,1-4H2.
What are the key properties of 4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 270.71 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 83156608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).