N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C14H16BrFN2S — CID 82800945

IUPACN-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H16BrFN2S/c1-2-5-17-13(9-14-18-6-7-19-14)10-3-4-12(16)11(15)8-10/h3-4,6-8,13,17H,2,5,9H2,1H3
InChIKeyVPFJNJSPNQXXMV-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.33
Rot. Bonds6

About N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 82800945) has the molecular formula C14H16BrFN2S and a molecular weight of 343.27 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID82800945
Molecular FormulaC14H16BrFN2S
Molecular Weight343.27 g/mol
Exact Mass342.02
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H16BrFN2S/c1-2-5-17-13(9-14-18-6-7-19-14)10-3-4-12(16)11(15)8-10/h3-4,6-8,13,17H,2,5,9H2,1H3
InChIKeyVPFJNJSPNQXXMV-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine
CID 79747525
N-[2-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 63412597
N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 105169159
N-[1-(2-bromo-5-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169193
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 81304178
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015053
N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
N-[2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 81143134
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79823595

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 82800945) is N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is VPFJNJSPNQXXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2S/c1-2-5-17-13(9-14-18-6-7-19-14)10-3-4-12(16)11(15)8-10/h3-4,6-8,13,17H,2,5,9H2,1H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 343.27 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82800945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).