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

C12H12F2N2OS — CID 115633699

IUPAC3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1csc(CNc2cccc(OC(F)F)c2)n1
InChIInChI=1S/C12H12F2N2OS/c1-8-7-18-11(16-8)6-15-9-3-2-4-10(5-9)17-12(13)14/h2-5,7,12,15H,6H2,1H3
InChIKeySDHAYAFNCDNOLE-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.67
Rot. Bonds5

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

3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 115633699) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID115633699
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC Name3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1csc(CNc2cccc(OC(F)F)c2)n1
InChIInChI=1S/C12H12F2N2OS/c1-8-7-18-11(16-8)6-15-9-3-2-4-10(5-9)17-12(13)14/h2-5,7,12,15H,6H2,1H3
InChIKeySDHAYAFNCDNOLE-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019497
N-[(5-bromothiophen-3-yl)methyl]-3-(difluoromethoxy)aniline
CID 43699084
3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 55109711
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992547
3-(difluoromethoxy)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743456
N-(1-benzothiophen-3-ylmethyl)-3-(difluoromethoxy)aniline
CID 60981344
3-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688112
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
CID 43698991
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115743149
N-butyl-3-(difluoromethoxy)aniline
CID 43699124

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (CID 115633699) is 3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is Cc1csc(CNc2cccc(OC(F)F)c2)n1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is SDHAYAFNCDNOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-8-7-18-11(16-8)6-15-9-3-2-4-10(5-9)17-12(13)14/h2-5,7,12,15H,6H2,1H3.
What are the key properties of 3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 270.30 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 115633699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).