2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine

C17H15FN2S — CID 82106517

IUPAC2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2ccccc2)c(-c2ccccc2F)s1
InChIInChI=1S/C17H15FN2S/c18-14-9-5-4-8-13(14)17-16(12-6-2-1-3-7-12)20-15(21-17)10-11-19/h1-9H,10-11,19H2
InChIKeyBOUMWTSFZHPQPJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.12
Rot. Bonds4

About 2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine

2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine (PubChem CID 82106517) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine
PubChem CID82106517
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2ccccc2)c(-c2ccccc2F)s1
InChIInChI=1S/C17H15FN2S/c18-14-9-5-4-8-13(14)17-16(12-6-2-1-3-7-12)20-15(21-17)10-11-19/h1-9H,10-11,19H2
InChIKeyBOUMWTSFZHPQPJ-UHFFFAOYSA-N
XLogP4.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide
CID 127046715
4-(aminomethyl)-5-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 133054887
2-(9-phenyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
CID 82240169
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
1-fluoro-2-[2-(2-phenylphenyl)phenyl]benzene
CID 141475621
3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol
CID 15006904
5-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-amine
CID 82106591
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596
2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
CID 82106871
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 174610551

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine (CID 82106517) is 2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine is NCCc1nc(-c2ccccc2)c(-c2ccccc2F)s1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is BOUMWTSFZHPQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c18-14-9-5-4-8-13(14)17-16(12-6-2-1-3-7-12)20-15(21-17)10-11-19/h1-9H,10-11,19H2.
What are the key properties of 2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine?
2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 298.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82106517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).