(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine

C12H13FN2S — CID 81365024

IUPAC(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1cncs1)c1cccc(F)c1
InChIInChI=1S/C12H13FN2S/c1-9(10-3-2-4-11(13)5-10)15-7-12-6-14-8-16-12/h2-6,8-9,15H,7H2,1H3/t9-/m0/s1
InChIKeyNGTNBVXUISATQZ-VIFPVBQESA-N
MW236.32 g/mol
LogP3.13
Rot. Bonds4

About (1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine

(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 81365024) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID81365024
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1cncs1)c1cccc(F)c1
InChIInChI=1S/C12H13FN2S/c1-9(10-3-2-4-11(13)5-10)15-7-12-6-14-8-16-12/h2-6,8-9,15H,7H2,1H3/t9-/m0/s1
InChIKeyNGTNBVXUISATQZ-VIFPVBQESA-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 ≤ 500236.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732234
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113486927
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732390
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
CID 115979461

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 81365024) is (1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is C[C@H](NCc1cncs1)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is NGTNBVXUISATQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13FN2S/c1-9(10-3-2-4-11(13)5-10)15-7-12-6-14-8-16-12/h2-6,8-9,15H,7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 236.32 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 (1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 81365024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).