1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide

C20H25N5O5S2 — CID 76831460

IUPAC1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide
SMILESCOc1ccc(-c2nsc(NC(=O)C3CCCCN3C(=O)N3CCS(=O)(=O)CC3)n2)cc1
InChIInChI=1S/C20H25N5O5S2/c1-30-15-7-5-14(6-8-15)17-21-19(31-23-17)22-18(26)16-4-2-3-9-25(16)20(27)24-10-12-32(28,29)13-11-24/h5-8,16H,2-4,9-13H2,1H3,(H,21,22,23,26)
InChIKeyWICJXUZNICJCGE-UHFFFAOYSA-N
MW479.58 g/mol
LogP1.86
Rot. Bonds4

About 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide

1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide (PubChem CID 76831460) has the molecular formula C20H25N5O5S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide
PubChem CID76831460
Molecular FormulaC20H25N5O5S2
Molecular Weight479.58 g/mol
Exact Mass479.13
IUPAC Name1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide
SMILESCOc1ccc(-c2nsc(NC(=O)C3CCCCN3C(=O)N3CCS(=O)(=O)CC3)n2)cc1
InChIInChI=1S/C20H25N5O5S2/c1-30-15-7-5-14(6-8-15)17-21-19(31-23-17)22-18(26)16-4-2-3-9-25(16)20(27)24-10-12-32(28,29)13-11-24/h5-8,16H,2-4,9-13H2,1H3,(H,21,22,23,26)
InChIKeyWICJXUZNICJCGE-UHFFFAOYSA-N
XLogP1.86
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 91091124
(2S)-N-(4-chloro-1,3-benzothiazol-2-yl)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-2-carboxamide
CID 89044257
(3R)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide
CID 95313237
(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953374
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxamide
CID 67953320
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42757770
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 35573064
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17435413
benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 68524620
1-(2-bromobenzoyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 4234848

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide (CID 76831460) is 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide is COc1ccc(-c2nsc(NC(=O)C3CCCCN3C(=O)N3CCS(=O)(=O)CC3)n2)cc1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide?
The InChIKey is WICJXUZNICJCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S2/c1-30-15-7-5-14(6-8-15)17-21-19(31-23-17)22-18(26)16-4-2-3-9-25(16)20(27)24-10-12-32(28,29)13-11-24/h5-8,16H,2-4,9-13H2,1H3,(H,21,22,23,26).
What are the key properties of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide?
1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide is sourced from PubChem (CID 76831460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).