(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C12H13FN2S — CID 81369918

IUPAC(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1nccs1)c1cccc(F)c1
InChIInChI=1S/C12H13FN2S/c1-9(10-3-2-4-11(13)7-10)15-8-12-14-5-6-16-12/h2-7,9,15H,8H2,1H3/t9-/m1/s1
InChIKeyLOXCVLWIYXHZMN-SECBINFHSA-N
MW236.31 g/mol
LogP3.13
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 81369918) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID81369918
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1nccs1)c1cccc(F)c1
InChIInChI=1S/C12H13FN2S/c1-9(10-3-2-4-11(13)7-10)15-8-12-14-5-6-16-12/h2-7,9,15H,8H2,1H3/t9-/m1/s1
InChIKeyLOXCVLWIYXHZMN-SECBINFHSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284818
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 104878345
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
1-(2-bromo-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103778187
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365728
1-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 81369918) is (1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is C[C@@H](NCc1nccs1)c1cccc(F)c1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is LOXCVLWIYXHZMN-SECBINFHSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-9(10-3-2-4-11(13)7-10)15-8-12-14-5-6-16-12/h2-7,9,15H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 236.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 81369918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).