2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine

C16H21N3OS — CID 82135838

IUPAC2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2cccc(CN3CCOCC3)c2)n1
InChIInChI=1S/C16H21N3OS/c17-5-4-15-12-21-16(18-15)14-3-1-2-13(10-14)11-19-6-8-20-9-7-19/h1-3,10,12H,4-9,11,17H2
InChIKeyZQBBKJIOYGHRNJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.14
Rot. Bonds5

About 2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 82135838) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID82135838
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2cccc(CN3CCOCC3)c2)n1
InChIInChI=1S/C16H21N3OS/c17-5-4-15-12-21-16(18-15)14-3-1-2-13(10-14)11-19-6-8-20-9-7-19/h1-3,10,12H,4-9,11,17H2
InChIKeyZQBBKJIOYGHRNJ-UHFFFAOYSA-N
XLogP2.14
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 82135835
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 47776659
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195276
6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine
CID 120840361
4-[3-(morpholin-4-ylmethyl)phenyl]pyridin-3-amine
CID 72852250
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine (CID 82135838) is 2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine is NCCc1csc(-c2cccc(CN3CCOCC3)c2)n1.
What is the InChIKey of 2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is ZQBBKJIOYGHRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c17-5-4-15-12-21-16(18-15)14-3-1-2-13(10-14)11-19-6-8-20-9-7-19/h1-3,10,12H,4-9,11,17H2.
What are the key properties of 2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 303.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82135838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).