N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C13H16F3N3O2S — CID 110870063

IUPACN-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCN1C(=O)C(F)(F)F)c1nccs1
InChIInChI=1S/C13H16F3N3O2S/c1-12(2,10-17-5-7-22-10)18-9(20)8-4-3-6-19(8)11(21)13(14,15)16/h5,7-8H,3-4,6H2,1-2H3,(H,18,20)
InChIKeyNWHVXFQDGIFPLH-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.05
Rot. Bonds3

About N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110870063) has the molecular formula C13H16F3N3O2S and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110870063
Molecular FormulaC13H16F3N3O2S
Molecular Weight335.35 g/mol
Exact Mass335.09
IUPAC NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCN1C(=O)C(F)(F)F)c1nccs1
InChIInChI=1S/C13H16F3N3O2S/c1-12(2,10-17-5-7-22-10)18-9(20)8-4-3-6-19(8)11(21)13(14,15)16/h5,7-8H,3-4,6H2,1-2H3,(H,18,20)
InChIKeyNWHVXFQDGIFPLH-UHFFFAOYSA-N
XLogP2.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide
CID 9943002
N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71983373
N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 95901050
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237746
N-(2-oxo-2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)butanamide
CID 121526855
3-[2-(1,3-Thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 121528137
(2S)-2-(2,2-dimethylpropanoylamino)-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 122151537
(2S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164628606
(2R)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 53800979
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244431
(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244432

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110870063) is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CC(C)(NC(=O)C1CCCN1C(=O)C(F)(F)F)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is NWHVXFQDGIFPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2S/c1-12(2,10-17-5-7-22-10)18-9(20)8-4-3-6-19(8)11(21)13(14,15)16/h5,7-8H,3-4,6H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110870063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).