2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride

C18H25Cl2N3O2S — CID 119513323

IUPAC2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride
SMILESCCOc1ccc(-c2nc(CC(=O)NCC3CCCN3)cs2)cc1.Cl.Cl
InChIInChI=1S/C18H23N3O2S.2ClH/c1-2-23-16-7-5-13(6-8-16)18-21-15(12-24-18)10-17(22)20-11-14-4-3-9-19-14;;/h5-8,12,14,19H,2-4,9-11H2,1H3,(H,20,22);2*1H
InChIKeyGHYSQWKQWUUNPW-UHFFFAOYSA-N
MW418.39 g/mol
LogP3.46
Rot. Bonds7

About 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride (PubChem CID 119513323) has the molecular formula C18H25Cl2N3O2S and a molecular weight of 418.39 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride
PubChem CID119513323
Molecular FormulaC18H25Cl2N3O2S
Molecular Weight418.39 g/mol
Exact Mass417.10
IUPAC Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride
SMILESCCOc1ccc(-c2nc(CC(=O)NCC3CCCN3)cs2)cc1.Cl.Cl
InChIInChI=1S/C18H23N3O2S.2ClH/c1-2-23-16-7-5-13(6-8-16)18-21-15(12-24-18)10-17(22)20-11-14-4-3-9-19-14;;/h5-8,12,14,19H,2-4,9-11H2,1H3,(H,20,22);2*1H
InChIKeyGHYSQWKQWUUNPW-UHFFFAOYSA-N
XLogP3.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510569
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120573914
N-(2-amino-2-ethylbutyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642700
2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 59529213
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119571076
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55801899
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120576844
2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide
CID 35361449
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride (CID 119513323) is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride is CCOc1ccc(-c2nc(CC(=O)NCC3CCCN3)cs2)cc1.Cl.Cl.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride?
The InChIKey is GHYSQWKQWUUNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.2ClH/c1-2-23-16-7-5-13(6-8-16)18-21-15(12-24-18)10-17(22)20-11-14-4-3-9-19-14;;/h5-8,12,14,19H,2-4,9-11H2,1H3,(H,20,22);2*1H.
What are the key properties of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride?
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride has a molecular weight of 418.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119513323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).