N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride

C16H23Cl2N3OS — CID 3088631

IUPACN-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2csc(NCCCN3CCOCC3)n2)cc1
InChIInChI=1S/C16H21N3OS.2ClH/c1-2-5-14(6-3-1)15-13-21-16(18-15)17-7-4-8-19-9-11-20-12-10-19;;/h1-3,5-6,13H,4,7-12H2,(H,17,18);2*1H
InChIKeyHGIWXFWSTJZQDE-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.79
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride

N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 3088631) has the molecular formula C16H23Cl2N3OS and a molecular weight of 376.35 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride
PubChem CID3088631
Molecular FormulaC16H23Cl2N3OS
Molecular Weight376.35 g/mol
Exact Mass375.09
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2csc(NCCCN3CCOCC3)n2)cc1
InChIInChI=1S/C16H21N3OS.2ClH/c1-2-5-14(6-3-1)15-13-21-16(18-15)17-7-4-8-19-9-11-20-12-10-19;;/h1-3,5-6,13H,4,7-12H2,(H,17,18);2*1H
InChIKeyHGIWXFWSTJZQDE-UHFFFAOYSA-N
XLogP3.79
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride (CID 3088631) is N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.c1ccc(-c2csc(NCCCN3CCOCC3)n2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is HGIWXFWSTJZQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.2ClH/c1-2-5-14(6-3-1)15-13-21-16(18-15)17-7-4-8-19-9-11-20-12-10-19;;/h1-3,5-6,13H,4,7-12H2,(H,17,18);2*1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride?
N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 376.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 3088631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).