N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine

C13H14F2N2S — CID 61332803

IUPACN-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccs1)c1c(F)cccc1F
InChIInChI=1S/C13H14F2N2S/c1-2-6-16-12(13-17-7-8-18-13)11-9(14)4-3-5-10(11)15/h3-5,7-8,12,16H,2,6H2,1H3
InChIKeyNRSCOBYHUGPHGV-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.51
Rot. Bonds5

About N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine

N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 61332803) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID61332803
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC NameN-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccs1)c1c(F)cccc1F
InChIInChI=1S/C13H14F2N2S/c1-2-6-16-12(13-17-7-8-18-13)11-9(14)4-3-5-10(11)15/h3-5,7-8,12,16H,2,6H2,1H3
InChIKeyNRSCOBYHUGPHGV-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
N-[(2,6-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61334582
N-[(2,6-difluorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55006823
N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115859772
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[(2,3-difluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 63669287
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 103444844
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (CID 61332803) is N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccs1)c1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is NRSCOBYHUGPHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-2-6-16-12(13-17-7-8-18-13)11-9(14)4-3-5-10(11)15/h3-5,7-8,12,16H,2,6H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 268.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61332803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).