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

C14H17FN2S — CID 116891572

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine
SMILESCCC(CNC)c1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN2S/c1-3-10(8-16-2)13-9-18-14(17-13)11-5-4-6-12(15)7-11/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyBFFASFOETXGWKO-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.66
Rot. Bonds5

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

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine (PubChem CID 116891572) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine
PubChem CID116891572
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine
SMILESCCC(CNC)c1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN2S/c1-3-10(8-16-2)13-9-18-14(17-13)11-5-4-6-12(15)7-11/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyBFFASFOETXGWKO-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]butanenitrile
CID 116891500
2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891277
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine
CID 116889375
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18189684
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891278
2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119955178
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 36617877
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine (CID 116891572) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine is CCC(CNC)c1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine?
The InChIKey is BFFASFOETXGWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-3-10(8-16-2)13-9-18-14(17-13)11-5-4-6-12(15)7-11/h4-7,9-10,16H,3,8H2,1-2H3.
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine?
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.66, 5 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-methylbutan-1-amine is sourced from PubChem (CID 116891572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).