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

C12H13FN2S — CID 61280364

IUPACN-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cccc(F)c2)s1
InChIInChI=1S/C12H13FN2S/c1-2-14-7-11-8-15-12(16-11)9-4-3-5-10(13)6-9/h3-6,8,14H,2,7H2,1H3
InChIKeyWUTZDQPBJCPEAJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.06
Rot. Bonds4

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

N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 61280364) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID61280364
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC NameN-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cccc(F)c2)s1
InChIInChI=1S/C12H13FN2S/c1-2-14-7-11-8-15-12(16-11)9-4-3-5-10(13)6-9/h3-6,8,14H,2,7H2,1H3
InChIKeyWUTZDQPBJCPEAJ-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 61280364) is N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2cccc(F)c2)s1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is WUTZDQPBJCPEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-2-14-7-11-8-15-12(16-11)9-4-3-5-10(13)6-9/h3-6,8,14H,2,7H2,1H3.
What are the key properties of N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 236.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 61280364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).