2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide

C17H21N3O2S — CID 119385999

IUPAC2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC3CCNCC3)cs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-22-14-5-3-12(4-6-14)17-20-15(11-23-17)16(21)19-13-7-9-18-10-8-13/h3-6,11,13,18H,2,7-10H2,1H3,(H,19,21)
InChIKeyMUHBVUMAYWRIAQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.69
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 119385999) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID119385999
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC3CCNCC3)cs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-22-14-5-3-12(4-6-14)17-20-15(11-23-17)16(21)19-13-7-9-18-10-8-13/h3-6,11,13,18H,2,7-10H2,1H3,(H,19,21)
InChIKeyMUHBVUMAYWRIAQ-UHFFFAOYSA-N
XLogP2.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119455343
2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120576844
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 112804151
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066159
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119572444
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide (CID 119385999) is 2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NC3CCNCC3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MUHBVUMAYWRIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-22-14-5-3-12(4-6-14)17-20-15(11-23-17)16(21)19-13-7-9-18-10-8-13/h3-6,11,13,18H,2,7-10H2,1H3,(H,19,21).
What are the key properties of 2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119385999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).