2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine

C12H12F2N2S — CID 114275577

IUPAC2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNCCc1csc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C12H12F2N2S/c1-15-5-4-9-7-17-12(16-9)10-6-8(13)2-3-11(10)14/h2-3,6-7,15H,4-5H2,1H3
InChIKeyBUCZPKIPSJKGKA-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.85
Rot. Bonds4

About 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine

2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 114275577) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID114275577
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNCCc1csc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C12H12F2N2S/c1-15-5-4-9-7-17-12(16-9)10-6-8(13)2-3-11(10)14/h2-3,6-7,15H,4-5H2,1H3
InChIKeyBUCZPKIPSJKGKA-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888275
N-methyl-2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115089122
[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892077
2-(2,5-difluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 63663256
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116889010
2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 62944104
N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62388775
N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62388931
2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275569
2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891977

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 114275577) is 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine is CNCCc1csc(-c2cc(F)ccc2F)n1.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is BUCZPKIPSJKGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-15-5-4-9-7-17-12(16-9)10-6-8(13)2-3-11(10)14/h2-3,6-7,15H,4-5H2,1H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 254.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 114275577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).