3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

C13H14F2N2OS — CID 71857336

IUPAC3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2cccc(OC(F)F)c2C)cs1
InChIInChI=1S/C13H14F2N2OS/c1-8-11(4-3-5-12(8)18-13(14)15)16-6-10-7-19-9(2)17-10/h3-5,7,13,16H,6H2,1-2H3
InChIKeyZXNKBRQUOJDDJX-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.97
Rot. Bonds5

About 3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 71857336) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID71857336
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2cccc(OC(F)F)c2C)cs1
InChIInChI=1S/C13H14F2N2OS/c1-8-11(4-3-5-12(8)18-13(14)15)16-6-10-7-19-9(2)17-10/h3-5,7,13,16H,6H2,1-2H3
InChIKeyZXNKBRQUOJDDJX-UHFFFAOYSA-N
XLogP3.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 71857336) is 3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is Cc1nc(CNc2cccc(OC(F)F)c2C)cs1.
What is the InChIKey of 3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is ZXNKBRQUOJDDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-8-11(4-3-5-12(8)18-13(14)15)16-6-10-7-19-9(2)17-10/h3-5,7,13,16H,6H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 284.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 71857336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).