cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium

C17H23N2OS+ — CID 8933405

IUPACcyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
SMILESCCOc1ccc(-c2nc(C[NH2+]C3CCCC3)cs2)cc1
InChIInChI=1S/C17H22N2OS/c1-2-20-16-9-7-13(8-10-16)17-19-15(12-21-17)11-18-14-5-3-4-6-14/h7-10,12,14,18H,2-6,11H2,1H3/p+1
InChIKeyREDBPZVNYZRIPV-UHFFFAOYSA-O
MW303.45 g/mol
LogP3.21
Rot. Bonds6

About cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium

cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium (PubChem CID 8933405) has the molecular formula C17H23N2OS+ and a molecular weight of 303.45 g/mol. Its IUPAC name is cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
PubChem CID8933405
Molecular FormulaC17H23N2OS+
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Namecyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
SMILESCCOc1ccc(-c2nc(C[NH2+]C3CCCC3)cs2)cc1
InChIInChI=1S/C17H22N2OS/c1-2-20-16-9-7-13(8-10-16)17-19-15(12-21-17)11-18-14-5-3-4-6-14/h7-10,12,14,18H,2-6,11H2,1H3/p+1
InChIKeyREDBPZVNYZRIPV-UHFFFAOYSA-O
XLogP3.21
TPSA38.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55585906
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120573914
2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol
CID 116889638
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride
CID 119513323
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
2-[1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 71858797
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55801899
1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78788253
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55583411
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium?
The IUPAC name of cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium (CID 8933405) is cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium.
What is the SMILES notation for cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium?
The canonical SMILES for cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium is CCOc1ccc(-c2nc(C[NH2+]C3CCCC3)cs2)cc1.
What is the InChIKey of cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium?
The InChIKey is REDBPZVNYZRIPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N2OS/c1-2-20-16-9-7-13(8-10-16)17-19-15(12-21-17)11-18-14-5-3-4-6-14/h7-10,12,14,18H,2-6,11H2,1H3/p+1.
What are the key properties of cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium?
cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium has a molecular weight of 303.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium is sourced from PubChem (CID 8933405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).