4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine

C12H18F3N3S — CID 62963366

IUPAC4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C12H18F3N3S/c1-2-10-7-19-11(17-10)16-5-9-3-4-18(6-9)8-12(13,14)15/h7,9H,2-6,8H2,1H3,(H,16,17)
InChIKeyUNMJUZULPRKEFE-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.00
Rot. Bonds5

About 4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine

4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 62963366) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
PubChem CID62963366
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C12H18F3N3S/c1-2-10-7-19-11(17-10)16-5-9-3-4-18(6-9)8-12(13,14)15/h7,9H,2-6,8H2,1H3,(H,16,17)
InChIKeyUNMJUZULPRKEFE-UHFFFAOYSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine (CID 62963366) is 4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine is CCc1csc(NCC2CCN(CC(F)(F)F)C2)n1.
What is the InChIKey of 4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is UNMJUZULPRKEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-2-10-7-19-11(17-10)16-5-9-3-4-18(6-9)8-12(13,14)15/h7,9H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 293.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62963366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).