N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

C13H14F2N2S — CID 115680147

IUPACN-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2cc(F)ccc2F)s1
InChIInChI=1S/C13H14F2N2S/c1-8-6-17-13(18-8)9(2)16-7-10-5-11(14)3-4-12(10)15/h3-6,9,16H,7H2,1-2H3
InChIKeyNSXZMNHAYQHGOQ-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.58
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115680147) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115680147
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2cc(F)ccc2F)s1
InChIInChI=1S/C13H14F2N2S/c1-8-6-17-13(18-8)9(2)16-7-10-5-11(14)3-4-12(10)15/h3-6,9,16H,7H2,1-2H3
InChIKeyNSXZMNHAYQHGOQ-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112697036
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
N-[(4-bromo-2-chlorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 113251449
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112696986
1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794981
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
methyl 2-fluoro-4-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzoate
CID 104579959
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
N-[(2,5-difluorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103854966
N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115908048
N-[(3-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 113344561
1-(5-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115680118

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 115680147) is N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2cc(F)ccc2F)s1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is NSXZMNHAYQHGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-8-6-17-13(18-8)9(2)16-7-10-5-11(14)3-4-12(10)15/h3-6,9,16H,7H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 268.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115680147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).