2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine

C13H15FN2S — CID 116889375

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H15FN2S/c1-13(2,15-3)11-8-17-12(16-11)9-5-4-6-10(14)7-9/h4-8,15H,1-3H3
InChIKeyNYYHRSXFDVXQBS-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.40
Rot. Bonds3

About 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine (PubChem CID 116889375) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine
PubChem CID116889375
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H15FN2S/c1-13(2,15-3)11-8-17-12(16-11)9-5-4-6-10(14)7-9/h4-8,15H,1-3H3
InChIKeyNYYHRSXFDVXQBS-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine
CID 116891572
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide
CID 123981436
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]butanenitrile
CID 116891500
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 16563687
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82598274
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865445

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine (CID 116889375) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is NYYHRSXFDVXQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-13(2,15-3)11-8-17-12(16-11)9-5-4-6-10(14)7-9/h4-8,15H,1-3H3.
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine?
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 250.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116889375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).