N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C15H19FN2S — CID 81277433

IUPACN-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1-c1ncc(CNCC(C)C)s1
InChIInChI=1S/C15H19FN2S/c1-10(2)7-17-8-13-9-18-15(19-13)14-5-4-12(16)6-11(14)3/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyNWEKJSRYROTHCO-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.00
Rot. Bonds5

About N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81277433) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID81277433
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1-c1ncc(CNCC(C)C)s1
InChIInChI=1S/C15H19FN2S/c1-10(2)7-17-8-13-9-18-15(19-13)14-5-4-12(16)6-11(14)3/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyNWEKJSRYROTHCO-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 81277433) is N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is Cc1cc(F)ccc1-c1ncc(CNCC(C)C)s1.
What is the InChIKey of N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NWEKJSRYROTHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-10(2)7-17-8-13-9-18-15(19-13)14-5-4-12(16)6-11(14)3/h4-6,9-10,17H,7-8H2,1-3H3.
What are the key properties of N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81277433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).