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

C17H24N4O4S2 — CID 46976035

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nc(C(C)C)cs2)C1
InChIInChI=1S/C17H24N4O4S2/c1-10(2)14-9-26-17(18-14)19-16(22)13-6-5-7-21(8-13)27(23,24)15-11(3)20-25-12(15)4/h9-10,13H,5-8H2,1-4H3,(H,18,19,22)
InChIKeyAQQAWYXWHXPSGI-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.91
Rot. Bonds5

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 46976035) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID46976035
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nc(C(C)C)cs2)C1
InChIInChI=1S/C17H24N4O4S2/c1-10(2)14-9-26-17(18-14)19-16(22)13-6-5-7-21(8-13)27(23,24)15-11(3)20-25-12(15)4/h9-10,13H,5-8H2,1-4H3,(H,18,19,22)
InChIKeyAQQAWYXWHXPSGI-UHFFFAOYSA-N
XLogP2.91
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.91
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-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 46976035) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nc(C(C)C)cs2)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is AQQAWYXWHXPSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-10(2)14-9-26-17(18-14)19-16(22)13-6-5-7-21(8-13)27(23,24)15-11(3)20-25-12(15)4/h9-10,13H,5-8H2,1-4H3,(H,18,19,22).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 2.91, 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-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46976035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).