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

C18H17N3O3S2 — CID 51930797

IUPAC(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C18H17N3O3S2/c22-16(20-18-19-13(11-26-18)15-6-3-9-25-15)12-4-1-7-21(10-12)17(23)14-5-2-8-24-14/h2-3,5-6,8-9,11-12H,1,4,7,10H2,(H,19,20,22)/t12-/m1/s1
InChIKeyGQXIRGCVSHTEBR-GFCCVEGCSA-N
MW387.49 g/mol
LogP3.96
Rot. Bonds4

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

(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 51930797) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is (3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID51930797
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C18H17N3O3S2/c22-16(20-18-19-13(11-26-18)15-6-3-9-25-15)12-4-1-7-21(10-12)17(23)14-5-2-8-24-14/h2-3,5-6,8-9,11-12H,1,4,7,10H2,(H,19,20,22)/t12-/m1/s1
InChIKeyGQXIRGCVSHTEBR-GFCCVEGCSA-N
XLogP3.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 27282898
tert-butyl 3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 55467468
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 29410855
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 32613901
1-(furan-2-carbonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17481227
[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43045608
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46629072
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602
furan-2-yl-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863498
1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide
CID 43043393
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42942172
1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 43040962

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 51930797) is (3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of (3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is GQXIRGCVSHTEBR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-16(20-18-19-13(11-26-18)15-6-3-9-25-15)12-4-1-7-21(10-12)17(23)14-5-2-8-24-14/h2-3,5-6,8-9,11-12H,1,4,7,10H2,(H,19,20,22)/t12-/m1/s1.
What are the key properties of (3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51930797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).