N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride

C12H19ClF3N3S — CID 120838258

IUPACN-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCCCN(Cc1ncc(C(F)(F)F)s1)C1CCNC1.Cl
InChIInChI=1S/C12H18F3N3S.ClH/c1-2-5-18(9-3-4-16-6-9)8-11-17-7-10(19-11)12(13,14)15;/h7,9,16H,2-6,8H2,1H3;1H
InChIKeyQJGLEZSCRNNQHX-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.16
Rot. Bonds5

About N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride

N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120838258) has the molecular formula C12H19ClF3N3S and a molecular weight of 329.82 g/mol. Its IUPAC name is N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120838258
Molecular FormulaC12H19ClF3N3S
Molecular Weight329.82 g/mol
Exact Mass329.09
IUPAC NameN-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCCCN(Cc1ncc(C(F)(F)F)s1)C1CCNC1.Cl
InChIInChI=1S/C12H18F3N3S.ClH/c1-2-5-18(9-3-4-16-6-9)8-11-17-7-10(19-11)12(13,14)15;/h7,9,16H,2-6,8H2,1H3;1H
InChIKeyQJGLEZSCRNNQHX-UHFFFAOYSA-N
XLogP3.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120835564
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine
CID 116519800
7-methyl-2-[[propyl(pyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 63304593
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 102841648
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride (CID 120838258) is N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride is CCCN(Cc1ncc(C(F)(F)F)s1)C1CCNC1.Cl.
What is the InChIKey of N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is QJGLEZSCRNNQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S.ClH/c1-2-5-18(9-3-4-16-6-9)8-11-17-7-10(19-11)12(13,14)15;/h7,9,16H,2-6,8H2,1H3;1H.
What are the key properties of N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride?
N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 329.82 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120838258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).