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

C11H10F2N2OS — CID 55109711

IUPAC3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESFC(F)Oc1cccc(NCc2cncs2)c1
InChIInChI=1S/C11H10F2N2OS/c12-11(13)16-9-3-1-2-8(4-9)15-6-10-5-14-7-17-10/h1-5,7,11,15H,6H2
InChIKeyNGXWLASHCSQYIG-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.36
Rot. Bonds5

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

3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 55109711) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID55109711
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESFC(F)Oc1cccc(NCc2cncs2)c1
InChIInChI=1S/C11H10F2N2OS/c12-11(13)16-9-3-1-2-8(4-9)15-6-10-5-14-7-17-10/h1-5,7,11,15H,6H2
InChIKeyNGXWLASHCSQYIG-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile
CID 62760732
3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115633699
N-[(5-bromothiophen-3-yl)methyl]-3-(difluoromethoxy)aniline
CID 43699084
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline
CID 66163708
3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
CID 54976663
3-(difluoromethoxy)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743456
N-(1-benzothiophen-3-ylmethyl)-3-(difluoromethoxy)aniline
CID 60981344
3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555165
3-(difluoromethoxy)-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106936031
3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
CID 43698745
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline (CID 55109711) is 3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline is FC(F)Oc1cccc(NCc2cncs2)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is NGXWLASHCSQYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c12-11(13)16-9-3-1-2-8(4-9)15-6-10-5-14-7-17-10/h1-5,7,11,15H,6H2.
What are the key properties of 3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline?
3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 256.28 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 55109711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).