N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C10H12F3N3OS — CID 154748675

IUPACN-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1CC(F)(F)F
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)6-16-4-1-2-7(16)8(17)15-9-14-3-5-18-9/h3,5,7H,1-2,4,6H2,(H,14,15,17)
InChIKeyVHJHPLQUSIWGPU-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.11
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 154748675) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID154748675
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC NameN-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1CC(F)(F)F
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)6-16-4-1-2-7(16)8(17)15-9-14-3-5-18-9/h3,5,7H,1-2,4,6H2,(H,14,15,17)
InChIKeyVHJHPLQUSIWGPU-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118634244
(2S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164628606
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 55628088
1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 126792661
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120752679
(2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 51957320
(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95274519
1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55760566
1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810736
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
(2R)-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95627748
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 154748675) is N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)C1CCCN1CC(F)(F)F.
What is the InChIKey of N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is VHJHPLQUSIWGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)6-16-4-1-2-7(16)8(17)15-9-14-3-5-18-9/h3,5,7H,1-2,4,6H2,(H,14,15,17).
What are the key properties of N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 2.11, 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-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154748675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).