3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline

C11H8BrClF2N2OS — CID 55248914

IUPAC3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESFC(F)Oc1c(Br)cc(Cl)cc1NCc1nccs1
InChIInChI=1S/C11H8BrClF2N2OS/c12-7-3-6(13)4-8(10(7)18-11(14)15)17-5-9-16-1-2-19-9/h1-4,11,17H,5H2
InChIKeyIOLAGEFGLCWHQR-UHFFFAOYSA-N
MW369.62 g/mol
LogP4.77
Rot. Bonds5

About 3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline

3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 55248914) has the molecular formula C11H8BrClF2N2OS and a molecular weight of 369.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID55248914
Molecular FormulaC11H8BrClF2N2OS
Molecular Weight369.62 g/mol
Exact Mass367.92
IUPAC Name3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESFC(F)Oc1c(Br)cc(Cl)cc1NCc1nccs1
InChIInChI=1S/C11H8BrClF2N2OS/c12-7-3-6(13)4-8(10(7)18-11(14)15)17-5-9-16-1-2-19-9/h1-4,11,17H,5H2
InChIKeyIOLAGEFGLCWHQR-UHFFFAOYSA-N
XLogP4.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline (CID 55248914) is 3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline is FC(F)Oc1c(Br)cc(Cl)cc1NCc1nccs1.
What is the InChIKey of 3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is IOLAGEFGLCWHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClF2N2OS/c12-7-3-6(13)4-8(10(7)18-11(14)15)17-5-9-16-1-2-19-9/h1-4,11,17H,5H2.
What are the key properties of 3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline?
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline has a molecular weight of 369.62 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 55248914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).