(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide

C20H19N3O2S2 — CID 26093966

IUPAC(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nccs3)[C@@H]2c2cccs2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-13-4-6-14(7-5-13)23-17(24)9-8-15(18(23)16-3-2-11-26-16)19(25)22-20-21-10-12-27-20/h2-7,10-12,15,18H,8-9H2,1H3,(H,21,22,25)/t15-,18-/m1/s1
InChIKeyHWNCVEKYSJCUMN-CRAIPNDOSA-N
MW397.53 g/mol
LogP4.64
Rot. Bonds4

About (2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide

(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 26093966) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is (2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID26093966
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nccs3)[C@@H]2c2cccs2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-13-4-6-14(7-5-13)23-17(24)9-8-15(18(23)16-3-2-11-26-16)19(25)22-20-21-10-12-27-20/h2-7,10-12,15,18H,8-9H2,1H3,(H,21,22,25)/t15-,18-/m1/s1
InChIKeyHWNCVEKYSJCUMN-CRAIPNDOSA-N
XLogP4.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide (CID 26093966) is (2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide is Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nccs3)[C@@H]2c2cccs2)cc1.
What is the InChIKey of (2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is HWNCVEKYSJCUMN-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-13-4-6-14(7-5-13)23-17(24)9-8-15(18(23)16-3-2-11-26-16)19(25)22-20-21-10-12-27-20/h2-7,10-12,15,18H,8-9H2,1H3,(H,21,22,25)/t15-,18-/m1/s1.
What are the key properties of (2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide?
(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 26093966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).