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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(3-phenoxypropyl)-1,3-thiazol-2-amine
CID 79400626
5-bromo-N-(3-phenoxypropyl)-1,3,4-thiadiazol-2-amine
CID 64622861
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914
CID 59694819
CID 59694819
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 4956346
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115579999

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).