2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole

C10H12ClF3N2O2S2 — CID 61052047

IUPAC2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H12ClF3N2O2S2/c1-6-8(19-9(11)15-6)20(17,18)16-4-2-3-7(5-16)10(12,13)14/h7H,2-5H2,1H3
InChIKeyGQNUYKFVFVTXAD-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.07
Rot. Bonds2

About 2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole

2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole (PubChem CID 61052047) has the molecular formula C10H12ClF3N2O2S2 and a molecular weight of 348.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole
PubChem CID61052047
Molecular FormulaC10H12ClF3N2O2S2
Molecular Weight348.80 g/mol
Exact Mass348.00
IUPAC Name2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H12ClF3N2O2S2/c1-6-8(19-9(11)15-6)20(17,18)16-4-2-3-7(5-16)10(12,13)14/h7H,2-5H2,1H3
InChIKeyGQNUYKFVFVTXAD-UHFFFAOYSA-N
XLogP3.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole (CID 61052047) is 2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole is Cc1nc(Cl)sc1S(=O)(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The InChIKey is GQNUYKFVFVTXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2S2/c1-6-8(19-9(11)15-6)20(17,18)16-4-2-3-7(5-16)10(12,13)14/h7H,2-5H2,1H3.
What are the key properties of 2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole?
2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole has a molecular weight of 348.80 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole is sourced from PubChem (CID 61052047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).