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

C14H16F2N2S — CID 62404972

IUPACN-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H16F2N2S/c1-9(2)6-17-7-11-8-18-14(19-11)10-3-4-12(15)13(16)5-10/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyGFVWXNIPRORQPY-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.83
Rot. Bonds5

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

N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62404972) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62404972
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H16F2N2S/c1-9(2)6-17-7-11-8-18-14(19-11)10-3-4-12(15)13(16)5-10/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyGFVWXNIPRORQPY-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62404972) is N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GFVWXNIPRORQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-9(2)6-17-7-11-8-18-14(19-11)10-3-4-12(15)13(16)5-10/h3-5,8-9,17H,6-7H2,1-2H3.
What are the key properties of N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 282.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62404972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).