5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

C13H15FN2S — CID 62065016

IUPAC5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2S/c1-8(2)12-11(17-13(15)16-12)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyLCZIOHMTXIHODR-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.58
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 62065016) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID62065016
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2S/c1-8(2)12-11(17-13(15)16-12)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyLCZIOHMTXIHODR-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 62065016) is 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is LCZIOHMTXIHODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8(2)12-11(17-13(15)16-12)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16).
What are the key properties of 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 250.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62065016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).