4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C17H22FN3S — CID 118909465

IUPAC4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCc1cc(F)cc(-c2nc(N)sc2CN2CCC[C@H]2C)c1
InChIInChI=1S/C17H22FN3S/c1-3-12-7-13(9-14(18)8-12)16-15(22-17(19)20-16)10-21-6-4-5-11(21)2/h7-9,11H,3-6,10H2,1-2H3,(H2,19,20)/t11-/m1/s1
InChIKeyBFVZOSRMIDCAOK-LLVKDONJSA-N
MW319.45 g/mol
LogP4.08
Rot. Bonds4

About 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 118909465) has the molecular formula C17H22FN3S and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID118909465
Molecular FormulaC17H22FN3S
Molecular Weight319.45 g/mol
Exact Mass319.15
IUPAC Name4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCc1cc(F)cc(-c2nc(N)sc2CN2CCC[C@H]2C)c1
InChIInChI=1S/C17H22FN3S/c1-3-12-7-13(9-14(18)8-12)16-15(22-17(19)20-16)10-21-6-4-5-11(21)2/h7-9,11H,3-6,10H2,1-2H3,(H2,19,20)/t11-/m1/s1
InChIKeyBFVZOSRMIDCAOK-LLVKDONJSA-N
XLogP4.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-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

2-Amino-4-phenyl-5-methylthiazole
CID 96129
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 702265
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
4,5-Di-p-tolyl-thiazol-2-ylamine
CID 2382939
4-Phenyl-5-tetradecyl-2-thiazolamine
CID 73234
4-(2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl)-1,3-thiazol-2-amine hydrochloride
CID 6602929
4-(4-Methylphenyl)-5-propyl-1,3-thiazol-2-amine
CID 799204
4-[4-Fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-amine
CID 44449844
4-[2-Fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-amine
CID 44449872
4-(4-Fluorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 1229841
4-(3,4-Difluorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 674091

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 118909465) is 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is CCc1cc(F)cc(-c2nc(N)sc2CN2CCC[C@H]2C)c1.
What is the InChIKey of 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is BFVZOSRMIDCAOK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22FN3S/c1-3-12-7-13(9-14(18)8-12)16-15(22-17(19)20-16)10-21-6-4-5-11(21)2/h7-9,11H,3-6,10H2,1-2H3,(H2,19,20)/t11-/m1/s1.
What are the key properties of 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 319.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118909465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).