2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride

C18H25ClN4O2S — CID 119393111

IUPAC2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCOc1ccc(-c2ncc(C(=O)NCCCN3CCNCC3)s2)cc1.Cl
InChIInChI=1S/C18H24N4O2S.ClH/c1-24-15-5-3-14(4-6-15)18-21-13-16(25-18)17(23)20-7-2-10-22-11-8-19-9-12-22;/h3-6,13,19H,2,7-12H2,1H3,(H,20,23);1H
InChIKeyHCYYXBZYSLDANY-UHFFFAOYSA-N
MW396.94 g/mol
LogP2.27
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride

2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 119393111) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID119393111
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC Name2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCOc1ccc(-c2ncc(C(=O)NCCCN3CCNCC3)s2)cc1.Cl
InChIInChI=1S/C18H24N4O2S.ClH/c1-24-15-5-3-14(4-6-15)18-21-13-16(25-18)17(23)20-7-2-10-22-11-8-19-9-12-22;/h3-6,13,19H,2,7-12H2,1H3,(H,20,23);1H
InChIKeyHCYYXBZYSLDANY-UHFFFAOYSA-N
XLogP2.27
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
2-(furan-2-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119446974
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390862
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770
5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119392997
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 120642480
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119445035
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 71995102
4-methoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119392270

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride (CID 119393111) is 2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride is COc1ccc(-c2ncc(C(=O)NCCCN3CCNCC3)s2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is HCYYXBZYSLDANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.ClH/c1-24-15-5-3-14(4-6-15)18-21-13-16(25-18)17(23)20-7-2-10-22-11-8-19-9-12-22;/h3-6,13,19H,2,7-12H2,1H3,(H,20,23);1H.
What are the key properties of 2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride?
2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119393111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).