N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C12H14F3N3O2S — CID 110723375

IUPACN-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1nccs1
InChIInChI=1S/C12H14F3N3O2S/c1-17(11-16-4-7-21-11)9(19)8-2-5-18(6-3-8)10(20)12(13,14)15/h4,7-8H,2-3,5-6H2,1H3
InChIKeySWFKFUWUQBRWIP-UHFFFAOYSA-N
MW321.32 g/mol
LogP1.91
Rot. Bonds2

About N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110723375) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110723375
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC NameN-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1nccs1
InChIInChI=1S/C12H14F3N3O2S/c1-17(11-16-4-7-21-11)9(19)8-2-5-18(6-3-8)10(20)12(13,14)15/h4,7-8H,2-3,5-6H2,1H3
InChIKeySWFKFUWUQBRWIP-UHFFFAOYSA-N
XLogP1.91
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propanamide, 3-(4-methyl-1-piperidyl)-N-(2-thiazolyl)-
CID 574554
1-[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-4-carboxamide
CID 6462725
N-cyclohexyl-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 656358
N-cyclopentyl-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 1448188
6,8-Diethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-dione
CID 44373273
8-(Cyclopropylmethyl)-6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-dione
CID 44459176
6-Ethyl-8-(2-methylpropyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-dione
CID 44459262
1-[3-(1,3-Thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide
CID 56796137
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 11912297
1-Methanesulfonyl-N-(1,3-thiazol-2-YL)piperidine-4-carboxamide
CID 25856246
1-N-prop-2-enyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 49723394
1-isobutyryl-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 32546254

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110723375) is N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1nccs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is SWFKFUWUQBRWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c1-17(11-16-4-7-21-11)9(19)8-2-5-18(6-3-8)10(20)12(13,14)15/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 321.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110723375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).