1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide

C20H24N4O4S2 — CID 91091124

IUPAC1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C1CCCCN1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C20H24N4O4S2/c25-18(22-19-21-16(14-29-19)15-6-2-1-3-7-15)17-8-4-5-9-24(17)20(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,14,17H,4-5,8-13H2,(H,21,22,25)
InChIKeyWDOIRXCSWMTZHK-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.45
Rot. Bonds3

About 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide

1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide (PubChem CID 91091124) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
PubChem CID91091124
Molecular FormulaC20H24N4O4S2
Molecular Weight448.57 g/mol
Exact Mass448.12
IUPAC Name1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C1CCCCN1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C20H24N4O4S2/c25-18(22-19-21-16(14-29-19)15-6-2-1-3-7-15)17-8-4-5-9-24(17)20(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,14,17H,4-5,8-13H2,(H,21,22,25)
InChIKeyWDOIRXCSWMTZHK-UHFFFAOYSA-N
XLogP2.45
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
(2S)-N-(4-chloro-1,3-benzothiazol-2-yl)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-2-carboxamide
CID 89044257
1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide
CID 76831460
benzyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 76582831
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630584
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1000957
1-butanoyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 60546506
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3685808
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843116
2-[[4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 140519328
2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 59140914

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 91091124) is 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)C1CCCCN1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is WDOIRXCSWMTZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c25-18(22-19-21-16(14-29-19)15-6-2-1-3-7-15)17-8-4-5-9-24(17)20(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,14,17H,4-5,8-13H2,(H,21,22,25).
What are the key properties of 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 91091124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).