N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide

C12H15F3N2OS — CID 71993371

IUPACN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)C1CCCC1
InChIInChI=1S/C12H15F3N2OS/c13-12(14,15)9-7-19-10(17-9)5-6-16-11(18)8-3-1-2-4-8/h7-8H,1-6H2,(H,16,18)
InChIKeyBRAQKSSBHMMCOC-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.01
Rot. Bonds4

About N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide

N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide (PubChem CID 71993371) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide
PubChem CID71993371
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC NameN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)C1CCCC1
InChIInChI=1S/C12H15F3N2OS/c13-12(14,15)9-7-19-10(17-9)5-6-16-11(18)8-3-1-2-4-8/h7-8H,1-6H2,(H,16,18)
InChIKeyBRAQKSSBHMMCOC-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
CID 71993342
N-(2-{2-[1-(cyclopentylcarbonyl)-4-piperidyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 53149493
N-{2-[2-(1-Cyclopentanecarbonylpiperidin-4-YL)-1,3-thiazol-4-YL]ethyl}-2-methylpropanamide
CID 53149507
N~1~-(2-{2-[1-(Cyclopentylcarbonyl)-3-piperidyl]-1,3-thiazol-4-YL}ethyl)-2-methylpropanamide
CID 71841758
N-(2-{2-[1-(cyclopentylcarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)propanamide
CID 71841800
N-{2-[2-(1-Cyclopentanecarbonylpiperidin-4-YL)-1,3-thiazol-4-YL]ethyl}propanamide
CID 71841955
2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 39071903
N-methyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoylamino]cyclopentane-1-carboxamide
CID 132375219
(2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide
CID 138000186
2-(1-methylpiperidin-4-yl)-N-[(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 164632347
(1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 164636949
(3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
CID 173107734

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide (CID 71993371) is N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide is O=C(NCCc1nc(C(F)(F)F)cs1)C1CCCC1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is BRAQKSSBHMMCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c13-12(14,15)9-7-19-10(17-9)5-6-16-11(18)8-3-1-2-4-8/h7-8H,1-6H2,(H,16,18).
What are the key properties of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide?
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 292.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 71993371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).