N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride

C18H19ClN2OS — CID 10315646

IUPACN-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.c1ccc(-c2ccc(OCCCNc3nccs3)cc2)cc1
InChIInChI=1S/C18H18N2OS.ClH/c1-2-5-15(6-3-1)16-7-9-17(10-8-16)21-13-4-11-19-18-20-12-14-22-18;/h1-3,5-10,12,14H,4,11,13H2,(H,19,20);1H
InChIKeyUYBZGSAOFOHRDY-UHFFFAOYSA-N
MW346.88 g/mol
LogP5.11
Rot. Bonds7

About N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride

N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 10315646) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID10315646
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC NameN-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.c1ccc(-c2ccc(OCCCNc3nccs3)cc2)cc1
InChIInChI=1S/C18H18N2OS.ClH/c1-2-5-15(6-3-1)16-7-9-17(10-8-16)21-13-4-11-19-18-20-12-14-22-18;/h1-3,5-10,12,14H,4,11,13H2,(H,19,20);1H
InChIKeyUYBZGSAOFOHRDY-UHFFFAOYSA-N
XLogP5.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.88
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride (CID 10315646) is N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride is Cl.c1ccc(-c2ccc(OCCCNc3nccs3)cc2)cc1.
What is the InChIKey of N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is UYBZGSAOFOHRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS.ClH/c1-2-5-15(6-3-1)16-7-9-17(10-8-16)21-13-4-11-19-18-20-12-14-22-18;/h1-3,5-10,12,14H,4,11,13H2,(H,19,20);1H.
What are the key properties of N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride?
N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylphenoxy)propyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 10315646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).