2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride

C15H22ClN3OS — CID 120901014

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride
SMILESCCN(Cc1cnc(N)s1)CC(O)c1ccc(C)cc1.Cl
InChIInChI=1S/C15H21N3OS.ClH/c1-3-18(9-13-8-17-15(16)20-13)10-14(19)12-6-4-11(2)5-7-12;/h4-8,14,19H,3,9-10H2,1-2H3,(H2,16,17);1H
InChIKeyWCVFIIKPHQEITC-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.01
Rot. Bonds6

About 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride

2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride (PubChem CID 120901014) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride
PubChem CID120901014
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride
SMILESCCN(Cc1cnc(N)s1)CC(O)c1ccc(C)cc1.Cl
InChIInChI=1S/C15H21N3OS.ClH/c1-3-18(9-13-8-17-15(16)20-13)10-14(19)12-6-4-11(2)5-7-12;/h4-8,14,19H,3,9-10H2,1-2H3,(H2,16,17);1H
InChIKeyWCVFIIKPHQEITC-UHFFFAOYSA-N
XLogP3.01
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride (CID 120901014) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride is CCN(Cc1cnc(N)s1)CC(O)c1ccc(C)cc1.Cl.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride?
The InChIKey is WCVFIIKPHQEITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS.ClH/c1-3-18(9-13-8-17-15(16)20-13)10-14(19)12-6-4-11(2)5-7-12;/h4-8,14,19H,3,9-10H2,1-2H3,(H2,16,17);1H.
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride?
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 120901014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).