2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

C12H11Cl2FN2S — CID 83076710

IUPAC2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H11Cl2FN2S/c1-6-12(18-5-16-6)7(2)17-11-9(13)3-8(15)4-10(11)14/h3-5,7,17H,1-2H3
InChIKeyMDRSMERPJKWYIM-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.07
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 83076710) has the molecular formula C12H11Cl2FN2S and a molecular weight of 305.21 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID83076710
Molecular FormulaC12H11Cl2FN2S
Molecular Weight305.21 g/mol
Exact Mass304.00
IUPAC Name2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H11Cl2FN2S/c1-6-12(18-5-16-6)7(2)17-11-9(13)3-8(15)4-10(11)14/h3-5,7,17H,1-2H3
InChIKeyMDRSMERPJKWYIM-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-chloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107610172
2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107527119
2,4,5-trichloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43759104
2,6-dichloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 83077042
6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 43779310
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103936659
2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 83076313
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107597040
2-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyridin-4-amine
CID 80528014
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43760127

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 83076710) is 2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ncsc1C(C)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is MDRSMERPJKWYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN2S/c1-6-12(18-5-16-6)7(2)17-11-9(13)3-8(15)4-10(11)14/h3-5,7,17H,1-2H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 305.21 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 83076710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).