1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

C20H21N3O2S2 — CID 2134842

IUPAC1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)s2)CC1)c1ccccc1
InChIInChI=1S/C20H21N3O2S2/c1-13(14-5-3-2-4-6-14)21-18(24)15-7-10-23(11-8-15)20-22-16-9-12-26-17(16)19(25)27-20/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyDNUXPMGTLGUBAE-ZDUSSCGKSA-N
MW399.54 g/mol
LogP3.81
Rot. Bonds4

About 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 2134842) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID2134842
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC Name1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)s2)CC1)c1ccccc1
InChIInChI=1S/C20H21N3O2S2/c1-13(14-5-3-2-4-6-14)21-18(24)15-7-10-23(11-8-15)20-22-16-9-12-26-17(16)19(25)27-20/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyDNUXPMGTLGUBAE-ZDUSSCGKSA-N
XLogP3.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 3222659
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 92899229
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide
CID 92899231
1-(4-methylpyrimidin-2-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95082439
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
N-(1-phenylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146134
1-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 90609326
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95114431
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95114430
4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(1-phenylethyl)cyclohexane-1-carboxamide
CID 15995107
3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide
CID 126697071

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (CID 2134842) is 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)s2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is DNUXPMGTLGUBAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-13(14-5-3-2-4-6-14)21-18(24)15-7-10-23(11-8-15)20-22-16-9-12-26-17(16)19(25)27-20/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2134842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).