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

C15H20N4O4S2 — CID 49345560

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cscn2)CC1
InChIInChI=1S/C15H20N4O4S2/c1-10-14(11(2)23-18-10)25(21,22)19-5-3-12(4-6-19)15(20)16-7-13-8-24-9-17-13/h8-9,12H,3-7H2,1-2H3,(H,16,20)
InChIKeyZMAAJYUENDQHIQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.47
Rot. Bonds5

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 49345560) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
PubChem CID49345560
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cscn2)CC1
InChIInChI=1S/C15H20N4O4S2/c1-10-14(11(2)23-18-10)25(21,22)19-5-3-12(4-6-19)15(20)16-7-13-8-24-9-17-13/h8-9,12H,3-7H2,1-2H3,(H,16,20)
InChIKeyZMAAJYUENDQHIQ-UHFFFAOYSA-N
XLogP1.47
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.47
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-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide (CID 49345560) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cscn2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZMAAJYUENDQHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-10-14(11(2)23-18-10)25(21,22)19-5-3-12(4-6-19)15(20)16-7-13-8-24-9-17-13/h8-9,12H,3-7H2,1-2H3,(H,16,20).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.47, 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-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 49345560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).