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

C12H16F3N3OS — CID 119335999

IUPACN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)C1CCCCN1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)9-7-20-10(18-9)4-6-17-11(19)8-3-1-2-5-16-8/h7-8,16H,1-6H2,(H,17,19)
InChIKeyMLGCGLQLSXCMPK-UHFFFAOYSA-N
MW307.34 g/mol
LogP1.96
Rot. Bonds4

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

N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide (PubChem CID 119335999) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
PubChem CID119335999
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC NameN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)C1CCCCN1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)9-7-20-10(18-9)4-6-17-11(19)8-3-1-2-5-16-8/h7-8,16H,1-6H2,(H,17,19)
InChIKeyMLGCGLQLSXCMPK-UHFFFAOYSA-N
XLogP1.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374029
4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide
CID 126770233
3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119805400
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 100651064
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110462344
3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 111509236
(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119869426
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231
1-(2-cyclohexylethyl)-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111689010
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119340899
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122004458

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide (CID 119335999) is N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide is O=C(NCCc1nc(C(F)(F)F)cs1)C1CCCCN1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide?
The InChIKey is MLGCGLQLSXCMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c13-12(14,15)9-7-20-10(18-9)4-6-17-11(19)8-3-1-2-5-16-8/h7-8,16H,1-6H2,(H,17,19).
What are the key properties of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide?
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 119335999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).