1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C17H21N3O3S — CID 37019192

IUPAC1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)c1csc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C17H21N3O3S/c1-11(2)13-10-24-17(18-13)19-15(21)12-5-7-20(8-6-12)16(22)14-4-3-9-23-14/h3-4,9-12H,5-8H2,1-2H3,(H,18,19,21)
InChIKeyOLUSSDOKLFTTMX-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.35
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 37019192) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID37019192
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)c1csc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C17H21N3O3S/c1-11(2)13-10-24-17(18-13)19-15(21)12-5-7-20(8-6-12)16(22)14-4-3-9-23-14/h3-4,9-12H,5-8H2,1-2H3,(H,18,19,21)
InChIKeyOLUSSDOKLFTTMX-UHFFFAOYSA-N
XLogP3.35
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 37019192) is 1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CC(C)c1csc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is OLUSSDOKLFTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11(2)13-10-24-17(18-13)19-15(21)12-5-7-20(8-6-12)16(22)14-4-3-9-23-14/h3-4,9-12H,5-8H2,1-2H3,(H,18,19,21).
What are the key properties of 1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 37019192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).