N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C13H18F3N3OS — CID 137984511

IUPACN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCN(CCC1=NC=CS1)C(=O)C2CCCN2CC(F)(F)F
InChIInChI=1S/C13H18F3N3OS/c1-18(7-4-11-17-5-8-21-11)12(20)10-3-2-6-19(10)9-13(14,15)16/h5,8,10H,2-4,6-7,9H2,1H3
InChIKeyAPFHBGHSJKCUAV-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 137984511) has the molecular formula C13H18F3N3OS and a molecular weight of 321.36 g/mol. Its IUPAC name is N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID137984511
Molecular FormulaC13H18F3N3OS
Molecular Weight321.36 g/mol
Exact Mass321.11
IUPAC NameN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCN(CCC1=NC=CS1)C(=O)C2CCCN2CC(F)(F)F
InChIInChI=1S/C13H18F3N3OS/c1-18(7-4-11-17-5-8-21-11)12(20)10-3-2-6-19(10)9-13(14,15)16/h5,8,10H,2-4,6-7,9H2,1H3
InChIKeyAPFHBGHSJKCUAV-UHFFFAOYSA-N
XLogP2.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity367

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide
CID 9943002
1-[3-(1,3-Thiazol-2-yl)propanoyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 128058684
N-ethyl-2-(2-oxopiperidin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 84589758
3-[2-(1,3-Thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 121528137
3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 122160091
(2S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164628606
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164638032
(2S)-2-[cyanomethyl-[(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]amino]-4-methylpentanamide
CID 87345783
(5R)-5-[(2-fluoroethylamino)methyl]-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
CID 141078119
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75388046
2-[1-(4,4,4-Trifluorobutanoyl)pyrrolidin-2-yl]-1,3-thiazole
CID 90653836
N-Cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 91790899

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 137984511) is N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CN(CCC1=NC=CS1)C(=O)C2CCCN2CC(F)(F)F.
What is the InChIKey of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is APFHBGHSJKCUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c1-18(7-4-11-17-5-8-21-11)12(20)10-3-2-6-19(10)9-13(14,15)16/h5,8,10H,2-4,6-7,9H2,1H3.
What are the key properties of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 137984511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).