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

C12H12ClFN2S — CID 107527119

IUPAC2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H12ClFN2S/c1-7-12(17-6-15-7)8(2)16-11-5-9(14)3-4-10(11)13/h3-6,8,16H,1-2H3
InChIKeyIBWIRJAZSFIWGJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.42
Rot. Bonds3

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

2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 107527119) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID107527119
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H12ClFN2S/c1-7-12(17-6-15-7)8(2)16-11-5-9(14)3-4-10(11)13/h3-6,8,16H,1-2H3
InChIKeyIBWIRJAZSFIWGJ-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103936659
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
2,4,5-trichloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43759104
2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 83076710
2-bromo-6-chloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107610172
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107527068
2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43755779
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
2-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyridin-4-amine
CID 80528014
5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 114259232
(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81365857
6-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-8-amine
CID 43778931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 107527119) is 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ncsc1C(C)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is IBWIRJAZSFIWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-7-12(17-6-15-7)8(2)16-11-5-9(14)3-4-10(11)13/h3-6,8,16H,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 270.76 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 107527119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).