N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride

C14H19ClN2OS — CID 120558378

IUPACN-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1nc(-c2ccc(OCC)cc2)cs1.Cl
InChIInChI=1S/C14H18N2OS.ClH/c1-3-15-9-14-16-13(10-18-14)11-5-7-12(8-6-11)17-4-2;/h5-8,10,15H,3-4,9H2,1-2H3;1H
InChIKeyBVDWQRHTCQYLDU-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.74
Rot. Bonds6

About N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride

N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride (PubChem CID 120558378) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
PubChem CID120558378
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1nc(-c2ccc(OCC)cc2)cs1.Cl
InChIInChI=1S/C14H18N2OS.ClH/c1-3-15-9-14-16-13(10-18-14)11-5-7-12(8-6-11)17-4-2;/h5-8,10,15H,3-4,9H2,1-2H3;1H
InChIKeyBVDWQRHTCQYLDU-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62542712
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558401
[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazine;hydrobromide
CID 171114823
2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62545171
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine
CID 82453135
N-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544012

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride (CID 120558378) is N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride is CCNCc1nc(-c2ccc(OCC)cc2)cs1.Cl.
What is the InChIKey of N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The InChIKey is BVDWQRHTCQYLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.ClH/c1-3-15-9-14-16-13(10-18-14)11-5-7-12(8-6-11)17-4-2;/h5-8,10,15H,3-4,9H2,1-2H3;1H.
What are the key properties of N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120558378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).