[3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol

C12H13FN2OS — CID 106529830

IUPAC[3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol
SMILESCN(Cc1cscn1)c1cc(F)cc(CO)c1
InChIInChI=1S/C12H13FN2OS/c1-15(5-11-7-17-8-14-11)12-3-9(6-16)2-10(13)4-12/h2-4,7-8,16H,5-6H2,1H3
InChIKeyULLMTVJXCLYYHD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.41
Rot. Bonds4

About [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol

[3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol (PubChem CID 106529830) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol
PubChem CID106529830
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name[3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol
SMILESCN(Cc1cscn1)c1cc(F)cc(CO)c1
InChIInChI=1S/C12H13FN2OS/c1-15(5-11-7-17-8-14-11)12-3-9(6-16)2-10(13)4-12/h2-4,7-8,16H,5-6H2,1H3
InChIKeyULLMTVJXCLYYHD-UHFFFAOYSA-N
XLogP2.41
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 102813798
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63076116
[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
CID 106529738
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63785847
4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 91268064
1-[5-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]ethanol
CID 55013782
2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55012212
(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132151
2-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 104500473
2,3-difluoro-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 107935631
2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol
CID 79603673
3-bromo-5-(hydroxymethyl)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 81480596

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol?
The IUPAC name of [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol (CID 106529830) is [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol?
The canonical SMILES for [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol is CN(Cc1cscn1)c1cc(F)cc(CO)c1.
What is the InChIKey of [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol?
The InChIKey is ULLMTVJXCLYYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-15(5-11-7-17-8-14-11)12-3-9(6-16)2-10(13)4-12/h2-4,7-8,16H,5-6H2,1H3.
What are the key properties of [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol?
[3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol has a molecular weight of 252.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol is sourced from PubChem (CID 106529830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).