(4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone

C14H19F3N2OS — CID 58395051

IUPAC(4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)(C)C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H19F3N2OS/c1-13(2,3)9-4-6-19(7-5-9)11(20)10-8-21-12(18-10)14(15,16)17/h8-9H,4-7H2,1-3H3
InChIKeyOCEXXROKQIGGDN-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.06
Rot. Bonds1

About (4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone

(4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 58395051) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
PubChem CID58395051
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name(4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)(C)C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H19F3N2OS/c1-13(2,3)9-4-6-19(7-5-9)11(20)10-8-21-12(18-10)14(15,16)17/h8-9H,4-7H2,1-3H3
InChIKeyOCEXXROKQIGGDN-UHFFFAOYSA-N
XLogP4.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-Propyl-1,3-thiazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 56751947
2-(1-amino-2-methylpropyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxamide
CID 137660414
2-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide
CID 52317008
2-Isopropyl-N-{[1-(4-methylpiperazin-1-YL)cyclopentyl]methyl}-1,3-thiazole-4-carboxamide
CID 91828992
2-Azabicyclo[2.2.1]heptan-2-yl-(2-methyl-1,3-thiazol-4-yl)methanone
CID 132283221
4-Cyclopropyl-1-(1,3-thiazole-4-carbonyl)piperidine
CID 137967224
[(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 164629512
[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 164642437
[2-[4-(Trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 59295474
(4-Ethylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 68260730
(4-Methylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 89616600
1-[4-(4,4-Difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone
CID 121308347

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (CID 58395051) is (4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is CC(C)(C)C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is OCEXXROKQIGGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-13(2,3)9-4-6-19(7-5-9)11(20)10-8-21-12(18-10)14(15,16)17/h8-9H,4-7H2,1-3H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
(4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 320.38 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 58395051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).