2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine

C17H17FN2OS — CID 53272889

IUPAC2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCc1ccc(-c2cnc(CNCCc3cccc(F)c3)s2)o1
InChIInChI=1S/C17H17FN2OS/c1-12-5-6-15(21-12)16-10-20-17(22-16)11-19-8-7-13-3-2-4-14(18)9-13/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyCVAGCPJNIZEQRB-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.18
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine

2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 53272889) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID53272889
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Name2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCc1ccc(-c2cnc(CNCCc3cccc(F)c3)s2)o1
InChIInChI=1S/C17H17FN2OS/c1-12-5-6-15(21-12)16-10-20-17(22-16)11-19-8-7-13-3-2-4-14(18)9-13/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyCVAGCPJNIZEQRB-UHFFFAOYSA-N
XLogP4.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-(Furan-2-yl)-thiazol-2-yl)-7-phenylheptan-1-one
CID 24951161
(1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 97318453
1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272184
2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272185
N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53272204
2-Thiazolemethanamine, N-[2-(2-fluorophenyl)ethyl]-5-(2-furanyl)-
CID 53272205
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
CID 53272208
1-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272218
2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272219
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53272224
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53272231
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(3-fluorophenyl)ethanamine
CID 53272255

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 53272889) is 2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine is Cc1ccc(-c2cnc(CNCCc3cccc(F)c3)s2)o1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is CVAGCPJNIZEQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2OS/c1-12-5-6-15(21-12)16-10-20-17(22-16)11-19-8-7-13-3-2-4-14(18)9-13/h2-6,9-10,19H,7-8,11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 316.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 53272889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).