2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine

C15H19FN2S — CID 114832552

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)(Cc1ccccc1F)c1nc(C)c(C)s1
InChIInChI=1S/C15H19FN2S/c1-10-11(2)19-14(18-10)15(3,17-4)9-12-7-5-6-8-13(12)16/h5-8,17H,9H2,1-4H3
InChIKeySVSXOSBOFUIRKY-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.58
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 114832552) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine
PubChem CID114832552
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)(Cc1ccccc1F)c1nc(C)c(C)s1
InChIInChI=1S/C15H19FN2S/c1-10-11(2)19-14(18-10)15(3,17-4)9-12-7-5-6-8-13(12)16/h5-8,17H,9H2,1-4H3
InChIKeySVSXOSBOFUIRKY-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylpropan-2-amine
CID 114832553
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61331926
4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole
CID 59872552
1-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 114832527
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 62724113
1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114832596
3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile
CID 114831782
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133451709
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine
CID 112679617

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine (CID 114832552) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine is CNC(C)(Cc1ccccc1F)c1nc(C)c(C)s1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is SVSXOSBOFUIRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-10-11(2)19-14(18-10)15(3,17-4)9-12-7-5-6-8-13(12)16/h5-8,17H,9H2,1-4H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 114832552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).