5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C17H19F4N3S — CID 129016603

IUPAC5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCC1CCCN1Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H19F4N3S/c1-2-13-4-3-5-24(13)9-14-15(23-16(22)25-14)10-6-11(17(19,20)21)8-12(18)7-10/h6-8,13H,2-5,9H2,1H3,(H2,22,23)
InChIKeyQJRTZLGORPQLRS-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.92
Rot. Bonds4

About 5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 129016603) has the molecular formula C17H19F4N3S and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID129016603
Molecular FormulaC17H19F4N3S
Molecular Weight373.42 g/mol
Exact Mass373.12
IUPAC Name5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCC1CCCN1Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H19F4N3S/c1-2-13-4-3-5-24(13)9-14-15(23-16(22)25-14)10-6-11(17(19,20)21)8-12(18)7-10/h6-8,13H,2-5,9H2,1H3,(H2,22,23)
InChIKeyQJRTZLGORPQLRS-UHFFFAOYSA-N
XLogP4.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 118636375
5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126741263
5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016513
5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 138638550
N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 130234335
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 138638587
2-[1-[6-[[4-[3-chloro-5-(trifluoromethyl)phenyl]-5-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-5-fluoropyrimidin-4-yl]piperidin-4-yl]oxyacetic acid;methane
CID 158392411
4-(3,5-dichloro-4-methylphenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 130211597
5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-propoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016408
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine
CID 91336363
4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 129016508
ethyl 3-[4-[5-fluoro-6-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]propanoate
CID 158207451

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 129016603) is 5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCC1CCCN1Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is QJRTZLGORPQLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3S/c1-2-13-4-3-5-24(13)9-14-15(23-16(22)25-14)10-6-11(17(19,20)21)8-12(18)7-10/h6-8,13H,2-5,9H2,1H3,(H2,22,23).
What are the key properties of 5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 373.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 129016603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).