2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride

C19H27Cl2N3O2S — CID 120574492

IUPAC2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NC3CCCNC3C)s2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3O2S.2ClH/c1-4-24-15-9-7-14(8-10-15)19-21-13(3)17(25-19)18(23)22-16-6-5-11-20-12(16)2;;/h7-10,12,16,20H,4-6,11H2,1-3H3,(H,22,23);2*1H
InChIKeyDEYDLVXQTSOQHR-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.23
Rot. Bonds5

About 2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride

2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120574492) has the molecular formula C19H27Cl2N3O2S and a molecular weight of 432.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120574492
Molecular FormulaC19H27Cl2N3O2S
Molecular Weight432.42 g/mol
Exact Mass431.12
IUPAC Name2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NC3CCCNC3C)s2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3O2S.2ClH/c1-4-24-15-9-7-14(8-10-15)19-21-13(3)17(25-19)18(23)22-16-6-5-11-20-12(16)2;;/h7-10,12,16,20H,4-6,11H2,1-3H3,(H,22,23);2*1H
InChIKeyDEYDLVXQTSOQHR-UHFFFAOYSA-N
XLogP4.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 120573888
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120576844
2-[(4-fluorophenyl)methyl]-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120575125
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120573914
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573758
4-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229216
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 86868712
2-(4-ethoxyphenyl)-4-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55723032
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119565019
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
2-(4-chlorophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112804170

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120574492) is 2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is CCOc1ccc(-c2nc(C)c(C(=O)NC3CCCNC3C)s2)cc1.Cl.Cl.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is DEYDLVXQTSOQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S.2ClH/c1-4-24-15-9-7-14(8-10-15)19-21-13(3)17(25-19)18(23)22-16-6-5-11-20-12(16)2;;/h7-10,12,16,20H,4-6,11H2,1-3H3,(H,22,23);2*1H.
What are the key properties of 2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 432.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120574492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).