N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine

C13H15FN2S — CID 107129039

IUPACN-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)c1cncs1
InChIInChI=1S/C13H15FN2S/c1-3-16-13(12-7-15-8-17-12)10-5-4-9(2)11(14)6-10/h4-8,13,16H,3H2,1-2H3
InChIKeyJNJRWBYLJKPRTB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.29
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine

N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 107129039) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID107129039
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)c1cncs1
InChIInChI=1S/C13H15FN2S/c1-3-16-13(12-7-15-8-17-12)10-5-4-9(2)11(14)6-10/h4-8,13,16H,3H2,1-2H3
InChIKeyJNJRWBYLJKPRTB-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107128744
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 107128679
N-[(3-fluoro-4-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 107130257
N-[(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107129020
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(3-fluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 107129067
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
[1-(3-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105201472
N-[(4-tert-butylthiadiazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130488
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine (CID 107129039) is N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine is CCNC(c1ccc(C)c(F)c1)c1cncs1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is JNJRWBYLJKPRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-3-16-13(12-7-15-8-17-12)10-5-4-9(2)11(14)6-10/h4-8,13,16H,3H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine?
N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 107129039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).