1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C20H22N4O4S2 — CID 26687601

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H22N4O4S2/c1-13-18(14(2)28-23-13)30(26,27)24-10-8-16(9-11-24)19(25)22-20-21-17(12-29-20)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H,21,22,25)
InChIKeyWQTNTUATIUQDCE-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.45
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 26687601) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID26687601
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H22N4O4S2/c1-13-18(14(2)28-23-13)30(26,27)24-10-8-16(9-11-24)19(25)22-20-21-17(12-29-20)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H,21,22,25)
InChIKeyWQTNTUATIUQDCE-UHFFFAOYSA-N
XLogP3.45
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 26687601) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is WQTNTUATIUQDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-13-18(14(2)28-23-13)30(26,27)24-10-8-16(9-11-24)19(25)22-20-21-17(12-29-20)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H,21,22,25).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 26687601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).