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

C13H14F2N2S — CID 116867953

IUPAC2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C13H14F2N2S/c1-13(2,16-3)12-17-11(7-18-12)8-4-5-9(14)10(15)6-8/h4-7,16H,1-3H3
InChIKeyRZPROIPXQORELI-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.54
Rot. Bonds3

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

2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine (PubChem CID 116867953) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
PubChem CID116867953
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C13H14F2N2S/c1-13(2,16-3)12-17-11(7-18-12)8-4-5-9(14)10(15)6-8/h4-7,16H,1-3H3
InChIKeyRZPROIPXQORELI-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine
CID 116867966
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
CID 116867951
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965891
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61337081
2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865445
1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol
CID 116867993
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965140
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 8801425
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine (CID 116867953) is 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine is CNC(C)(C)c1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is RZPROIPXQORELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-13(2,16-3)12-17-11(7-18-12)8-4-5-9(14)10(15)6-8/h4-7,16H,1-3H3.
What are the key properties of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 268.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116867953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).