(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine

C13H15ClN2OS — CID 78933150

IUPAC(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1ncc(COc2ccc(Cl)cc2[C@H](C)N)s1
InChIInChI=1S/C13H15ClN2OS/c1-8(15)12-5-10(14)3-4-13(12)17-7-11-6-16-9(2)18-11/h3-6,8H,7,15H2,1-2H3/t8-/m0/s1
InChIKeyBUXABFKFVRVWPM-QMMMGPOBSA-N
MW282.80 g/mol
LogP3.70
Rot. Bonds4

About (1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine

(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 78933150) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID78933150
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1ncc(COc2ccc(Cl)cc2[C@H](C)N)s1
InChIInChI=1S/C13H15ClN2OS/c1-8(15)12-5-10(14)3-4-13(12)17-7-11-6-16-9(2)18-11/h3-6,8H,7,15H2,1-2H3/t8-/m0/s1
InChIKeyBUXABFKFVRVWPM-QMMMGPOBSA-N
XLogP3.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63367368
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63021499
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
CID 62072333
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 62075077
1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 62074736
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
(1S)-1-[5-chloro-2-[(3,4-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78932855
(1S)-1-[5-chloro-2-[(3-chloro-4-pyridinyl)methoxy]phenyl]ethanamine
CID 79014080

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine (CID 78933150) is (1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine is Cc1ncc(COc2ccc(Cl)cc2[C@H](C)N)s1.
What is the InChIKey of (1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is BUXABFKFVRVWPM-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-8(15)12-5-10(14)3-4-13(12)17-7-11-6-16-9(2)18-11/h3-6,8H,7,15H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 282.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78933150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).