(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine

C17H18N2OS — CID 104630959

IUPAC(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C17H18N2OS/c1-2-13(18)12-7-3-5-9-15(12)20-11-17-19-14-8-4-6-10-16(14)21-17/h3-10,13H,2,11,18H2,1H3/t13-/m0/s1
InChIKeyRLHTXEFOZZHNBG-ZDUSSCGKSA-N
MW298.41 g/mol
LogP4.29
Rot. Bonds5

About (1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine

(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine (PubChem CID 104630959) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine
PubChem CID104630959
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C17H18N2OS/c1-2-13(18)12-7-3-5-9-15(12)20-11-17-19-14-8-4-6-10-16(14)21-17/h3-10,13H,2,11,18H2,1H3/t13-/m0/s1
InChIKeyRLHTXEFOZZHNBG-ZDUSSCGKSA-N
XLogP4.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61484148
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630917
2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile
CID 2714599
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 63366322
2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
CID 107713086
1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960
1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 60879589
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 78932859
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487826
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine (CID 104630959) is (1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCc1nc2ccccc2s1.
What is the InChIKey of (1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine?
The InChIKey is RLHTXEFOZZHNBG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-13(18)12-7-3-5-9-15(12)20-11-17-19-14-8-4-6-10-16(14)21-17/h3-10,13H,2,11,18H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine?
(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine has a molecular weight of 298.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 104630959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).