2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol

C12H12F2N2OS — CID 79832344

IUPAC2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
SMILESCc1nc(CNCc2cc(F)c(O)c(F)c2)cs1
InChIInChI=1S/C12H12F2N2OS/c1-7-16-9(6-18-7)5-15-4-8-2-10(13)12(17)11(14)3-8/h2-3,6,15,17H,4-5H2,1H3
InChIKeyGVYOIKSTOBWODU-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.73
Rot. Bonds4

About 2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol

2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol (PubChem CID 79832344) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
PubChem CID79832344
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC Name2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
SMILESCc1nc(CNCc2cc(F)c(O)c(F)c2)cs1
InChIInChI=1S/C12H12F2N2OS/c1-7-16-9(6-18-7)5-15-4-8-2-10(13)12(17)11(14)3-8/h2-3,6,15,17H,4-5H2,1H3
InChIKeyGVYOIKSTOBWODU-UHFFFAOYSA-N
XLogP2.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluoro-5-nitrophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 61283007
1-[2-fluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]piperidin-4-ol
CID 47625289
2-methyl-6-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 112554021
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 60960559
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 61060963
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 60999909
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
1-(2-methyl-1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961012
1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54896552
1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79978863

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol (CID 79832344) is 2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol is Cc1nc(CNCc2cc(F)c(O)c(F)c2)cs1.
What is the InChIKey of 2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol?
The InChIKey is GVYOIKSTOBWODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-7-16-9(6-18-7)5-15-4-8-2-10(13)12(17)11(14)3-8/h2-3,6,15,17H,4-5H2,1H3.
What are the key properties of 2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol?
2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol has a molecular weight of 270.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 79832344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).