N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide

C17H21N3O2S — CID 119282683

IUPACN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)C3CCCCN3)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-22-13-8-6-12(7-9-13)15-11-23-17(19-15)20-16(21)14-5-3-4-10-18-14/h6-9,11,14,18H,2-5,10H2,1H3,(H,19,20,21)
InChIKeyPFEUITBBBLLAEZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.29
Rot. Bonds5

About N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (PubChem CID 119282683) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
PubChem CID119282683
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)C3CCCCN3)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-22-13-8-6-12(7-9-13)15-11-23-17(19-15)20-16(21)14-5-3-4-10-18-14/h6-9,11,14,18H,2-5,10H2,1H3,(H,19,20,21)
InChIKeyPFEUITBBBLLAEZ-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119270252
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287667
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119271224
3-amino-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119711312
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119271989
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936305
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119677969
4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62539820
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 18071816
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7222665

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (CID 119282683) is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is CCOc1ccc(-c2csc(NC(=O)C3CCCCN3)n2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The InChIKey is PFEUITBBBLLAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-22-13-8-6-12(7-9-13)15-11-23-17(19-15)20-16(21)14-5-3-4-10-18-14/h6-9,11,14,18H,2-5,10H2,1H3,(H,19,20,21).
What are the key properties of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 119282683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).