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

C17H23FN2S — CID 114364657

IUPACN-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(-c2ccccc2F)sc1CNC(C)(C)C
InChIInChI=1S/C17H23FN2S/c1-5-8-14-15(11-19-17(2,3)4)21-16(20-14)12-9-6-7-10-13(12)18/h6-7,9-10,19H,5,8,11H2,1-4H3
InChIKeyBTBAULAPLPOJIM-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.79
Rot. Bonds5

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

N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114364657) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114364657
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC NameN-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(-c2ccccc2F)sc1CNC(C)(C)C
InChIInChI=1S/C17H23FN2S/c1-5-8-14-15(11-19-17(2,3)4)21-16(20-14)12-9-6-7-10-13(12)18/h6-7,9-10,19H,5,8,11H2,1-4H3
InChIKeyBTBAULAPLPOJIM-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-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 N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114364657) is N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCCc1nc(-c2ccccc2F)sc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BTBAULAPLPOJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-5-8-14-15(11-19-17(2,3)4)21-16(20-14)12-9-6-7-10-13(12)18/h6-7,9-10,19H,5,8,11H2,1-4H3.
What are the key properties of N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 306.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114364657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).