[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C11H13F3N2OS — CID 110676615

IUPAC[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(C(F)(F)F)sc1C(=O)N1CCCCC1
InChIInChI=1S/C11H13F3N2OS/c1-7-8(18-10(15-7)11(12,13)14)9(17)16-5-3-2-4-6-16/h2-6H2,1H3
InChIKeyWTWTYVJVLRREPA-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.10
Rot. Bonds1

About [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 110676615) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID110676615
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(C(F)(F)F)sc1C(=O)N1CCCCC1
InChIInChI=1S/C11H13F3N2OS/c1-7-8(18-10(15-7)11(12,13)14)9(17)16-5-3-2-4-6-16/h2-6H2,1H3
InChIKeyWTWTYVJVLRREPA-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 49017741
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
1-[4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 49014252
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 146086451
N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676616
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53016699
aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
CID 130629090
[4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110387437
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 39080567
2-(1,1-difluoroethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 146589738
[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 30142399

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 110676615) is [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is Cc1nc(C(F)(F)F)sc1C(=O)N1CCCCC1.
What is the InChIKey of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is WTWTYVJVLRREPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-7-8(18-10(15-7)11(12,13)14)9(17)16-5-3-2-4-6-16/h2-6H2,1H3.
What are the key properties of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 278.30 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110676615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).