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

C12H14F3N3O2S — CID 110738836

IUPACN-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCc1nccs1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3O2S/c13-12(14,15)11(20)18-4-1-8(2-5-18)10(19)17-7-9-16-3-6-21-9/h3,6,8H,1-2,4-5,7H2,(H,17,19)
InChIKeyIYYZNJOSNTYBCL-UHFFFAOYSA-N
MW321.32 g/mol
LogP1.56
Rot. Bonds3

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

N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110738836) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110738836
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCc1nccs1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3O2S/c13-12(14,15)11(20)18-4-1-8(2-5-18)10(19)17-7-9-16-3-6-21-9/h3,6,8H,1-2,4-5,7H2,(H,17,19)
InChIKeyIYYZNJOSNTYBCL-UHFFFAOYSA-N
XLogP1.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
N-(2-oxo-2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)butanamide
CID 121526855
3-oxo-3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 136521667
(2R)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 53800979
(2S)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 57202674
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 168208928
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 168208929
3-(1,3-Thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 177757175
Sdccgsbi-0117438.P001
CID 26412149
N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710768
2-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 71986834
1-[2-(1,3-Thiazol-2-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 72134044

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110738836) is N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCc1nccs1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is IYYZNJOSNTYBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c13-12(14,15)11(20)18-4-1-8(2-5-18)10(19)17-7-9-16-3-6-21-9/h3,6,8H,1-2,4-5,7H2,(H,17,19).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 321.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110738836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).