(2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C11H13F3N2OS — CID 122269506

IUPAC(2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C11H13F3N2OS/c1-7-15-9(6-18-7)10(17)16-4-2-3-8(5-16)11(12,13)14/h6,8H,2-5H2,1H3
InChIKeySLVZHOYMRLVGNJ-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.87
Rot. Bonds1

About (2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 122269506) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID122269506
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C11H13F3N2OS/c1-7-15-9(6-18-7)10(17)16-4-2-3-8(5-16)11(12,13)14/h6,8H,2-5H2,1H3
InChIKeySLVZHOYMRLVGNJ-UHFFFAOYSA-N
XLogP2.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 122269506) is (2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is SLVZHOYMRLVGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-7-15-9(6-18-7)10(17)16-4-2-3-8(5-16)11(12,13)14/h6,8H,2-5H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 278.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 122269506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).