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

C14H16F3N3S2 — CID 126741249

IUPAC5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine
SMILESC[C@@H]1CCCN1Cc1sc(N)nc1-c1cc(C(F)(F)F)cs1
InChIInChI=1S/C14H16F3N3S2/c1-8-3-2-4-20(8)6-11-12(19-13(18)22-11)10-5-9(7-21-10)14(15,16)17/h5,7-8H,2-4,6H2,1H3,(H2,18,19)/t8-/m1/s1
InChIKeyHLWZVKQNCQSFFJ-MRVPVSSYSA-N
MW347.43 g/mol
LogP4.46
Rot. Bonds3

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

5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine (PubChem CID 126741249) has the molecular formula C14H16F3N3S2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine
PubChem CID126741249
Molecular FormulaC14H16F3N3S2
Molecular Weight347.43 g/mol
Exact Mass347.07
IUPAC Name5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine
SMILESC[C@@H]1CCCN1Cc1sc(N)nc1-c1cc(C(F)(F)F)cs1
InChIInChI=1S/C14H16F3N3S2/c1-8-3-2-4-20(8)6-11-12(19-13(18)22-11)10-5-9(7-21-10)14(15,16)17/h5,7-8H,2-4,6H2,1H3,(H2,18,19)/t8-/m1/s1
InChIKeyHLWZVKQNCQSFFJ-MRVPVSSYSA-N
XLogP4.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-4-(2-thienyl)-1,3-thiazol-2-amine
CID 828526
4-(1-Isopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-thiazol-2-ylamine
CID 6497123
4-(2,5-Dimethyl-1-propyl-3-pyrrolyl)-2-thiazolamine
CID 2120077
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118630449
4-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118630538
5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 118636375
4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118909465
5-(Diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 118909469
4-[4-(Trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine
CID 125488890
5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126741263
5-[[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016239
4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 129016292

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine (CID 126741249) is 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine is C[C@@H]1CCCN1Cc1sc(N)nc1-c1cc(C(F)(F)F)cs1.
What is the InChIKey of 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine?
The InChIKey is HLWZVKQNCQSFFJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16F3N3S2/c1-8-3-2-4-20(8)6-11-12(19-13(18)22-11)10-5-9(7-21-10)14(15,16)17/h5,7-8H,2-4,6H2,1H3,(H2,18,19)/t8-/m1/s1.
What are the key properties of 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine?
5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine has a molecular weight of 347.43 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126741249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).