[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride

C17H24ClN3O2S — CID 126697388

IUPAC[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1cnc(-c2ccc(OCCCN3CCOCC3)cc2)s1
InChIInChI=1S/C17H23N3O2S.ClH/c18-12-16-13-19-17(23-16)14-2-4-15(5-3-14)22-9-1-6-20-7-10-21-11-8-20;/h2-5,13H,1,6-12,18H2;1H
InChIKeyFIULYQFMPYJHQU-UHFFFAOYSA-N
MW369.92 g/mol
LogP2.79
Rot. Bonds7

About [2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride

[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride (PubChem CID 126697388) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is [2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride
PubChem CID126697388
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1cnc(-c2ccc(OCCCN3CCOCC3)cc2)s1
InChIInChI=1S/C17H23N3O2S.ClH/c18-12-16-13-19-17(23-16)14-2-4-15(5-3-14)22-9-1-6-20-7-10-21-11-8-20;/h2-5,13H,1,6-12,18H2;1H
InChIKeyFIULYQFMPYJHQU-UHFFFAOYSA-N
XLogP2.79
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine
CID 126719606
[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
CID 142744465
3-[4-[5-(aminomethyl)-1,3-thiazol-2-yl]phenoxy]-N-methyl-N-propan-2-ylpropan-1-amine;hydrochloride
CID 135323664
methyl (2S)-1-[3-[4-[5-(aminomethyl)-1,3-thiazol-2-yl]phenoxy]propyl]pyrrolidine-2-carboxylate
CID 142744476
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
4-methyl-N-[[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]-6-oxo-5H-benzo[b][1,4]benzoxazepine-3-carboxamide
CID 135323623

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride (CID 126697388) is [2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride is Cl.NCc1cnc(-c2ccc(OCCCN3CCOCC3)cc2)s1.
What is the InChIKey of [2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride?
The InChIKey is FIULYQFMPYJHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c18-12-16-13-19-17(23-16)14-2-4-15(5-3-14)22-9-1-6-20-7-10-21-11-8-20;/h2-5,13H,1,6-12,18H2;1H.
What are the key properties of [2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride?
[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 126697388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).