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

C13H15FN2S — CID 61337834

IUPAC1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C13H15FN2S/c1-8(2)12(15)13-16-11(7-17-13)9-4-3-5-10(14)6-9/h3-8,12H,15H2,1-2H3
InChIKeySVSZEVRXGJGCMX-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.61
Rot. Bonds3

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

1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (PubChem CID 61337834) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
PubChem CID61337834
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C13H15FN2S/c1-8(2)12(15)13-16-11(7-17-13)9-4-3-5-10(14)6-9/h3-8,12H,15H2,1-2H3
InChIKeySVSZEVRXGJGCMX-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-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 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (CID 61337834) is 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is SVSZEVRXGJGCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8(2)12(15)13-16-11(7-17-13)9-4-3-5-10(14)6-9/h3-8,12H,15H2,1-2H3.
What are the key properties of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 61337834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).