N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

C11H14F3N3OS — CID 63048022

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1cscn1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)6-17-2-1-8(4-17)3-15-10(18)9-5-19-7-16-9/h5,7-8H,1-4,6H2,(H,15,18)
InChIKeyGQIQBLSJOBJIJW-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.76
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 63048022) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID63048022
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1cscn1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)6-17-2-1-8(4-17)3-15-10(18)9-5-19-7-16-9/h5,7-8H,1-4,6H2,(H,15,18)
InChIKeyGQIQBLSJOBJIJW-UHFFFAOYSA-N
XLogP1.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131950069
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 107358771
4-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 81229419
6-(dimethylamino)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591144
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 106127398
4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408
3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 66484887
N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 164636058
6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
CID 134813299

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (CID 63048022) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1cscn1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GQIQBLSJOBJIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c12-11(13,14)6-17-2-1-8(4-17)3-15-10(18)9-5-19-7-16-9/h5,7-8H,1-4,6H2,(H,15,18).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63048022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).