3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine

C12H12F2N2S — CID 116888275

IUPAC3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C12H12F2N2S/c13-8-3-4-10(11(14)6-8)12-16-9(7-17-12)2-1-5-15/h3-4,6-7H,1-2,5,15H2
InChIKeyYJMJBIBNAZMWNG-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.98
Rot. Bonds4

About 3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine

3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 116888275) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
PubChem CID116888275
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C12H12F2N2S/c13-8-3-4-10(11(14)6-8)12-16-9(7-17-12)2-1-5-15/h3-4,6-7H,1-2,5,15H2
InChIKeyYJMJBIBNAZMWNG-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 62944104
3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888287
2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 81309552
2-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methyl]propanedioic acid
CID 68655394
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275577
2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole
CID 107923695
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2744035
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272
3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089134
[2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 82486972
4-(2,4-difluorophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 19589589

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine (CID 116888275) is 3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine is NCCCc1csc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is YJMJBIBNAZMWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c13-8-3-4-10(11(14)6-8)12-16-9(7-17-12)2-1-5-15/h3-4,6-7H,1-2,5,15H2.
What are the key properties of 3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine?
3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 254.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 116888275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).