5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

C12H12BrFN2S — CID 103271867

IUPAC5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1cc(F)c(Br)cc1NC(C)c1nccs1
InChIInChI=1S/C12H12BrFN2S/c1-7-5-10(14)9(13)6-11(7)16-8(2)12-15-3-4-17-12/h3-6,8,16H,1-2H3
InChIKeyKUKACLVFURMYOH-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.53
Rot. Bonds3

About 5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 103271867) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID103271867
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1cc(F)c(Br)cc1NC(C)c1nccs1
InChIInChI=1S/C12H12BrFN2S/c1-7-5-10(14)9(13)6-11(7)16-8(2)12-15-3-4-17-12/h3-6,8,16H,1-2H3
InChIKeyKUKACLVFURMYOH-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993154
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 66076691
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 83076313
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 96824409
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591194
5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
CID 107591486
4-bromo-2,5-difluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 107609537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 103271867) is 5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is Cc1cc(F)c(Br)cc1NC(C)c1nccs1.
What is the InChIKey of 5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is KUKACLVFURMYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-7-5-10(14)9(13)6-11(7)16-8(2)12-15-3-4-17-12/h3-6,8,16H,1-2H3.
What are the key properties of 5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 315.21 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 103271867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).