[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine

C12H13FN2OS — CID 107686349

IUPAC[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCc1nc(COc2ccc(CN)cc2F)cs1
InChIInChI=1S/C12H13FN2OS/c1-8-15-10(7-17-8)6-16-12-3-2-9(5-14)4-11(12)13/h2-4,7H,5-6,14H2,1H3
InChIKeyYACYCTYFJGSXFQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.63
Rot. Bonds4

About [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine

[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 107686349) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID107686349
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCc1nc(COc2ccc(CN)cc2F)cs1
InChIInChI=1S/C12H13FN2OS/c1-8-15-10(7-17-8)6-16-12-3-2-9(5-14)4-11(12)13/h2-4,7H,5-6,14H2,1H3
InChIKeyYACYCTYFJGSXFQ-UHFFFAOYSA-N
XLogP2.63
TPSA48.14 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine with MolForge

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Related Compounds

4-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 107691593
N-[[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687734
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54930722
2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54931526
[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60877933
4-[[4-[(2S,3R)-4-[3,4-bis[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2,3-dimethylbutyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]-2-methyl-1,3-thiazole
CID 59159875
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 79888636
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
CID 107098783
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 107686349) is [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is Cc1nc(COc2ccc(CN)cc2F)cs1.
What is the InChIKey of [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is YACYCTYFJGSXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-8-15-10(7-17-8)6-16-12-3-2-9(5-14)4-11(12)13/h2-4,7H,5-6,14H2,1H3.
What are the key properties of [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 252.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107686349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).