1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C19H19N3O3S2 — CID 20973347

IUPAC1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H19N3O3S2/c23-17(20-11-14-12-27-18(21-14)16-4-2-10-26-16)13-5-7-22(8-6-13)19(24)15-3-1-9-25-15/h1-4,9-10,12-13H,5-8,11H2,(H,20,23)
InChIKeyMIWZBHSDVPTVSZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.63
Rot. Bonds5

About 1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 20973347) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID20973347
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H19N3O3S2/c23-17(20-11-14-12-27-18(21-14)16-4-2-10-26-16)13-5-7-22(8-6-13)19(24)15-3-1-9-25-15/h1-4,9-10,12-13H,5-8,11H2,(H,20,23)
InChIKeyMIWZBHSDVPTVSZ-UHFFFAOYSA-N
XLogP3.63
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973351
1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973358
1-[2-(4-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973346
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973356
1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390060
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974853
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
N-benzyl-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 78887605
1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390059

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 20973347) is 1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is MIWZBHSDVPTVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c23-17(20-11-14-12-27-18(21-14)16-4-2-10-26-16)13-5-7-22(8-6-13)19(24)15-3-1-9-25-15/h1-4,9-10,12-13H,5-8,11H2,(H,20,23).
What are the key properties of 1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20973347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).