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

C13H14F2N2S — CID 116965140

IUPAC4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCC(N)CCc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C13H14F2N2S/c1-8(16)2-5-13-17-12(7-18-13)9-3-4-10(14)11(15)6-9/h3-4,6-8H,2,5,16H2,1H3
InChIKeySOGXXDVHIVTWBG-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.37
Rot. Bonds4

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

4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 116965140) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
PubChem CID116965140
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCC(N)CCc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C13H14F2N2S/c1-8(16)2-5-13-17-12(7-18-13)9-3-4-10(14)11(15)6-9/h3-4,6-8H,2,5,16H2,1H3
InChIKeySOGXXDVHIVTWBG-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-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

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965145
4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965129
[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965891
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 60529081
2-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965969
2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968225
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127048131
2-amino-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966829
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The IUPAC name of 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine (CID 116965140) is 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine is CC(N)CCc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is SOGXXDVHIVTWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-8(16)2-5-13-17-12(7-18-13)9-3-4-10(14)11(15)6-9/h3-4,6-8H,2,5,16H2,1H3.
What are the key properties of 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine has a molecular weight of 268.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine is sourced from PubChem (CID 116965140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).