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

C14H15F3N2S — CID 106783039

IUPACN-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H15F3N2S/c1-2-8-18-12(10-6-4-3-5-7-10)11-9-19-13(20-11)14(15,16)17/h3-7,9,12,18H,2,8H2,1H3
InChIKeyHKZVNGWMOWFQNS-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.25
Rot. Bonds5

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

N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 106783039) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID106783039
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H15F3N2S/c1-2-8-18-12(10-6-4-3-5-7-10)11-9-19-13(20-11)14(15,16)17/h3-7,9,12,18H,2,8H2,1H3
InChIKeyHKZVNGWMOWFQNS-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
2,5-Diphenylthiazole
CID 3014233
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
(NE)-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 5902953
1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
CID 75382636
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 118190180
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190225
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190298
N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190495

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 106783039) is N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNC(c1ccccc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is HKZVNGWMOWFQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-2-8-18-12(10-6-4-3-5-7-10)11-9-19-13(20-11)14(15,16)17/h3-7,9,12,18H,2,8H2,1H3.
What are the key properties of N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 300.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 106783039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).