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

C15H21Cl2N3OS — CID 3088646

IUPACN-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2csc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C15H19N3OS.2ClH/c1-2-4-13(5-3-1)14-12-20-15(17-14)16-6-7-18-8-10-19-11-9-18;;/h1-5,12H,6-11H2,(H,16,17);2*1H
InChIKeyGBUZVNVXTKNABN-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.40
Rot. Bonds5

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

N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 3088646) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride
PubChem CID3088646
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC NameN-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2csc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C15H19N3OS.2ClH/c1-2-4-13(5-3-1)14-12-20-15(17-14)16-6-7-18-8-10-19-11-9-18;;/h1-5,12H,6-11H2,(H,16,17);2*1H
InChIKeyGBUZVNVXTKNABN-UHFFFAOYSA-N
XLogP3.40
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride (CID 3088646) is N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.c1ccc(-c2csc(NCCN3CCOCC3)n2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is GBUZVNVXTKNABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-2-4-13(5-3-1)14-12-20-15(17-14)16-6-7-18-8-10-19-11-9-18;;/h1-5,12H,6-11H2,(H,16,17);2*1H.
What are the key properties of N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride?
N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 3088646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).