(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide

C17H23N3O3S — CID 124608574

IUPAC(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCOC[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(C)o1
InChIInChI=1S/C17H23N3O3S/c1-12-5-6-15(23-12)14(11-22-2)19-17(21)20-8-3-4-13(10-20)16-18-7-9-24-16/h5-7,9,13-14H,3-4,8,10-11H2,1-2H3,(H,19,21)/t13-,14+/m0/s1
InChIKeyGDDPUDIVSJDCIH-UONOGXRCSA-N
MW349.46 g/mol
LogP3.32
Rot. Bonds5

About (3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide

(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 124608574) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID124608574
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCOC[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(C)o1
InChIInChI=1S/C17H23N3O3S/c1-12-5-6-15(23-12)14(11-22-2)19-17(21)20-8-3-4-13(10-20)16-18-7-9-24-16/h5-7,9,13-14H,3-4,8,10-11H2,1-2H3,(H,19,21)/t13-,14+/m0/s1
InChIKeyGDDPUDIVSJDCIH-UONOGXRCSA-N
XLogP3.32
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95967272
(2R)-2-(1H-imidazol-2-yl)-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 124608585
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122003589
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
CID 75504575
(9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 124885042
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
[1-(4-methoxyphenyl)cyclopropyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110106781
(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119873434
6-methyl-2-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 124553977
(2R)-2-ethyl-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylmorpholine-4-carboxamide
CID 99831196

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 124608574) is (3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide is COC[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(C)o1.
What is the InChIKey of (3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is GDDPUDIVSJDCIH-UONOGXRCSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-5-6-15(23-12)14(11-22-2)19-17(21)20-8-3-4-13(10-20)16-18-7-9-24-16/h5-7,9,13-14H,3-4,8,10-11H2,1-2H3,(H,19,21)/t13-,14+/m0/s1.
What are the key properties of (3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124608574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).