1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine

C12H13ClN2OS — CID 62072333

IUPAC1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCc1cscn1
InChIInChI=1S/C12H13ClN2OS/c1-8(14)11-4-9(13)2-3-12(11)16-5-10-6-17-7-15-10/h2-4,6-8H,5,14H2,1H3
InChIKeyWDIDPLYIPGCYRU-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.40
Rot. Bonds4

About 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine

1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine (PubChem CID 62072333) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
PubChem CID62072333
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCc1cscn1
InChIInChI=1S/C12H13ClN2OS/c1-8(14)11-4-9(13)2-3-12(11)16-5-10-6-17-7-15-10/h2-4,6-8H,5,14H2,1H3
InChIKeyWDIDPLYIPGCYRU-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 62074239
(1R)-1-[5-chloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366748
1-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 55031302
(1R)-1-[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366752
1-[5-chloro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992738
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 78933150
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 62074736
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 62075077

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine (CID 62072333) is 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine is CC(N)c1cc(Cl)ccc1OCc1cscn1.
What is the InChIKey of 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine?
The InChIKey is WDIDPLYIPGCYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-8(14)11-4-9(13)2-3-12(11)16-5-10-6-17-7-15-10/h2-4,6-8H,5,14H2,1H3.
What are the key properties of 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine?
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine has a molecular weight of 268.77 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 62072333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).