(1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine

C16H16N2OS — CID 103953958

IUPAC(1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine
SMILESC[C@@H](N)c1ccc2ccccc2c1OCc1cncs1
InChIInChI=1S/C16H16N2OS/c1-11(17)14-7-6-12-4-2-3-5-15(12)16(14)19-9-13-8-18-10-20-13/h2-8,10-11H,9,17H2,1H3/t11-/m1/s1
InChIKeyMLVKBOJIPMYZIB-LLVKDONJSA-N
MW284.38 g/mol
LogP3.89
Rot. Bonds4

About (1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine

(1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine (PubChem CID 103953958) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is (1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine
PubChem CID103953958
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name(1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine
SMILESC[C@@H](N)c1ccc2ccccc2c1OCc1cncs1
InChIInChI=1S/C16H16N2OS/c1-11(17)14-7-6-12-4-2-3-5-15(12)16(14)19-9-13-8-18-10-20-13/h2-8,10-11H,9,17H2,1H3/t11-/m1/s1
InChIKeyMLVKBOJIPMYZIB-LLVKDONJSA-N
XLogP3.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(thiophen-2-ylmethoxy)naphthalen-2-yl]ethanamine
CID 60889983
(1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine
CID 63368464
1-[1-(pyridin-3-ylmethoxy)naphthalen-2-yl]ethanamine
CID 43475190
1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone
CID 115979015
(1R)-1-[1-(2-thiophen-2-ylethoxy)naphthalen-2-yl]ethanamine
CID 78950759
(1R)-1-[1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalen-2-yl]ethanamine
CID 63368469
5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 112644779
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
(1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine
CID 79013841
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine?
The IUPAC name of (1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine (CID 103953958) is (1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine is C[C@@H](N)c1ccc2ccccc2c1OCc1cncs1.
What is the InChIKey of (1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine?
The InChIKey is MLVKBOJIPMYZIB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11(17)14-7-6-12-4-2-3-5-15(12)16(14)19-9-13-8-18-10-20-13/h2-8,10-11H,9,17H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine?
(1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine is sourced from PubChem (CID 103953958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).