N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide

C17H23N3O2S — CID 36956866

IUPACN-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(Cc2csc(-c3ccc(C)o3)n2)CC1
InChIInChI=1S/C17H23N3O2S/c1-3-18-16(21)13-6-8-20(9-7-13)10-14-11-23-17(19-14)15-5-4-12(2)22-15/h4-5,11,13H,3,6-10H2,1-2H3,(H,18,21)
InChIKeyFDRBSZCGPKNKQJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.06
Rot. Bonds5

About N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide

N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 36956866) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID36956866
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(Cc2csc(-c3ccc(C)o3)n2)CC1
InChIInChI=1S/C17H23N3O2S/c1-3-18-16(21)13-6-8-20(9-7-13)10-14-11-23-17(19-14)15-5-4-12(2)22-15/h4-5,11,13H,3,6-10H2,1-2H3,(H,18,21)
InChIKeyFDRBSZCGPKNKQJ-UHFFFAOYSA-N
XLogP3.06
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl}acetamide
CID 7064095
N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
N-{[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl}furan-2-carboxamide
CID 6464408
N-{[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl}furan-2-carboxamide
CID 6468644
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
N-{2-[2-(3-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}furan-2-carboxamide
CID 7518526
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 123759102
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)furan-2-carboxamide
CID 7522069
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 54773765
N-[[5-[2-[(N'-hexylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 9907053

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide (CID 36956866) is N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide is CCNC(=O)C1CCN(Cc2csc(-c3ccc(C)o3)n2)CC1.
What is the InChIKey of N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is FDRBSZCGPKNKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-18-16(21)13-6-8-20(9-7-13)10-14-11-23-17(19-14)15-5-4-12(2)22-15/h4-5,11,13H,3,6-10H2,1-2H3,(H,18,21).
What are the key properties of N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?
N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 36956866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).