2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

C12H18F3N3S — CID 106783411

IUPAC2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(C)(C(N)c1cnc(C(F)(F)F)s1)N1CCCC1
InChIInChI=1S/C12H18F3N3S/c1-11(2,18-5-3-4-6-18)9(16)8-7-17-10(19-8)12(13,14)15/h7,9H,3-6,16H2,1-2H3
InChIKeyTUJLUHFAOKOYLH-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.04
Rot. Bonds3

About 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106783411) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106783411
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(C)(C(N)c1cnc(C(F)(F)F)s1)N1CCCC1
InChIInChI=1S/C12H18F3N3S/c1-11(2,18-5-3-4-6-18)9(16)8-7-17-10(19-8)12(13,14)15/h7,9H,3-6,16H2,1-2H3
InChIKeyTUJLUHFAOKOYLH-UHFFFAOYSA-N
XLogP3.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783418
2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783424
(1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783611
2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782554
1-(1-ethylimidazol-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056883
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783739
(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783141
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067
(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785683
3,5,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine
CID 106786341
2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783287

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106783411) is 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CC(C)(C(N)c1cnc(C(F)(F)F)s1)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is TUJLUHFAOKOYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-11(2,18-5-3-4-6-18)9(16)8-7-17-10(19-8)12(13,14)15/h7,9H,3-6,16H2,1-2H3.
What are the key properties of 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 293.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106783411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).