N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine

C13H14F2N2S — CID 61335969

IUPACN-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1nccs1)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N2S/c1-8(2)17-12(13-16-5-6-18-13)10-7-9(14)3-4-11(10)15/h3-8,12,17H,1-2H3
InChIKeyRPQVFBRLKSTHCI-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.51
Rot. Bonds4

About N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine

N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 61335969) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID61335969
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC NameN-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1nccs1)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N2S/c1-8(2)17-12(13-16-5-6-18-13)10-7-9(14)3-4-11(10)15/h3-8,12,17H,1-2H3
InChIKeyRPQVFBRLKSTHCI-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61336170
N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334813
N-[(3-chloro-4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 81154689
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334805
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 62135503
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 81339461
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 81154688
2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993154
N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115959884
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine (CID 61335969) is N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine is CC(C)NC(c1nccs1)c1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is RPQVFBRLKSTHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-8(2)17-12(13-16-5-6-18-13)10-7-9(14)3-4-11(10)15/h3-8,12,17H,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 268.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 61335969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).