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

C14H17ClN2OS — CID 62074239

IUPAC1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Cl)ccc1OCc1cscn1
InChIInChI=1S/C14H17ClN2OS/c1-3-16-10(2)13-6-11(15)4-5-14(13)18-7-12-8-19-9-17-12/h4-6,8-10,16H,3,7H2,1-2H3
InChIKeyIZCGFKYININKHC-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.05
Rot. Bonds6

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

1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine (PubChem CID 62074239) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
PubChem CID62074239
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Cl)ccc1OCc1cscn1
InChIInChI=1S/C14H17ClN2OS/c1-3-16-10(2)13-6-11(15)4-5-14(13)18-7-12-8-19-9-17-12/h4-6,8-10,16H,3,7H2,1-2H3
InChIKeyIZCGFKYININKHC-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
CID 62072333
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
CID 55031304
N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60888079
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
N-[[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60881078
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]acetonitrile
CID 62073205
1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 62074920
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62074068
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63500315

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine (CID 62074239) is 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Cl)ccc1OCc1cscn1.
What is the InChIKey of 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine?
The InChIKey is IZCGFKYININKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-3-16-10(2)13-6-11(15)4-5-14(13)18-7-12-8-19-9-17-12/h4-6,8-10,16H,3,7H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine?
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine has a molecular weight of 296.82 g/mol, XLogP of 4.05, 6 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]-N-ethylethanamine is sourced from PubChem (CID 62074239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).