1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C14H18F3N3O2S — CID 51092379

IUPAC1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCc1nc(CC(=O)N2CCCC2C(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C14H18F3N3O2S/c1-2-11-19-9(7-23-11)6-12(21)20-5-3-4-10(20)13(22)18-8-14(15,16)17/h7,10H,2-6,8H2,1H3,(H,18,22)
InChIKeyFTHFCIUWIFHRPX-UHFFFAOYSA-N
MW349.38 g/mol
LogP1.92
Rot. Bonds5

About 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 51092379) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID51092379
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC Name1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCc1nc(CC(=O)N2CCCC2C(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C14H18F3N3O2S/c1-2-11-19-9(7-23-11)6-12(21)20-5-3-4-10(20)13(22)18-8-14(15,16)17/h7,10H,2-6,8H2,1H3,(H,18,22)
InChIKeyFTHFCIUWIFHRPX-UHFFFAOYSA-N
XLogP1.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 51092379) is 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCc1nc(CC(=O)N2CCCC2C(=O)NCC(F)(F)F)cs1.
What is the InChIKey of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is FTHFCIUWIFHRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2S/c1-2-11-19-9(7-23-11)6-12(21)20-5-3-4-10(20)13(22)18-8-14(15,16)17/h7,10H,2-6,8H2,1H3,(H,18,22).
What are the key properties of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51092379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).