(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C14H22F3N3S — CID 99612237

IUPAC(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCCc1nc(C)c([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)s1
InChIInChI=1S/C14H22F3N3S/c1-4-12-19-10(3)13(21-12)9(2)18-11-5-6-20(7-11)8-14(15,16)17/h9,11,18H,4-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyJBTCPBOOBVQZDM-MWLCHTKSSA-N
MW321.41 g/mol
LogP3.30
Rot. Bonds5

About (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 99612237) has the molecular formula C14H22F3N3S and a molecular weight of 321.41 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID99612237
Molecular FormulaC14H22F3N3S
Molecular Weight321.41 g/mol
Exact Mass321.15
IUPAC Name(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCCc1nc(C)c([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)s1
InChIInChI=1S/C14H22F3N3S/c1-4-12-19-10(3)13(21-12)9(2)18-11-5-6-20(7-11)8-14(15,16)17/h9,11,18H,4-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyJBTCPBOOBVQZDM-MWLCHTKSSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 19805509
[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
CID 51983424
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 51983426
(3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97055460
N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine
CID 99629512
N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide
CID 119039277
4-Methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 69594397
2,2,2-trifluoro-N-methyl-N-[[2-methyl-5-(4-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 91251350
[5-Ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
CID 105463808

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 99612237) is (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CCc1nc(C)c([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)s1.
What is the InChIKey of (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is JBTCPBOOBVQZDM-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H22F3N3S/c1-4-12-19-10(3)13(21-12)9(2)18-11-5-6-20(7-11)8-14(15,16)17/h9,11,18H,4-8H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 321.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 99612237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).