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

C17H23FN2S — CID 143840616

IUPAC2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCCc1ccc(CCc2csc(C(C)CNC)n2)c(F)c1
InChIInChI=1S/C17H23FN2S/c1-4-13-5-6-14(16(18)9-13)7-8-15-11-21-17(20-15)12(2)10-19-3/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3
InChIKeyPSERPDNCFYVMRE-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.95
Rot. Bonds7

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

2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 143840616) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine
PubChem CID143840616
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCCc1ccc(CCc2csc(C(C)CNC)n2)c(F)c1
InChIInChI=1S/C17H23FN2S/c1-4-13-5-6-14(16(18)9-13)7-8-15-11-21-17(20-15)12(2)10-19-3/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3
InChIKeyPSERPDNCFYVMRE-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine (CID 143840616) is 2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine is CCc1ccc(CCc2csc(C(C)CNC)n2)c(F)c1.
What is the InChIKey of 2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is PSERPDNCFYVMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-4-13-5-6-14(16(18)9-13)7-8-15-11-21-17(20-15)12(2)10-19-3/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 306.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-ethyl-2-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 143840616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).