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

C9H10ClF3N2O2S2 — CID 61052046

IUPAC2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H10ClF3N2O2S2/c10-8-14-4-7(18-8)19(16,17)15-3-1-2-6(5-15)9(11,12)13/h4,6H,1-3,5H2
InChIKeyAYOSTPGDKYLLOK-UHFFFAOYSA-N
MW334.77 g/mol
LogP2.76
Rot. Bonds2

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

2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole (PubChem CID 61052046) has the molecular formula C9H10ClF3N2O2S2 and a molecular weight of 334.77 g/mol. Its IUPAC name is 2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole
PubChem CID61052046
Molecular FormulaC9H10ClF3N2O2S2
Molecular Weight334.77 g/mol
Exact Mass333.98
IUPAC Name2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H10ClF3N2O2S2/c10-8-14-4-7(18-8)19(16,17)15-3-1-2-6(5-15)9(11,12)13/h4,6H,1-3,5H2
InChIKeyAYOSTPGDKYLLOK-UHFFFAOYSA-N
XLogP2.76
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole (CID 61052046) is 2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole is O=S(=O)(c1cnc(Cl)s1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The InChIKey is AYOSTPGDKYLLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S2/c10-8-14-4-7(18-8)19(16,17)15-3-1-2-6(5-15)9(11,12)13/h4,6H,1-3,5H2.
What are the key properties of 2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole?
2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole has a molecular weight of 334.77 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole is sourced from PubChem (CID 61052046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).