5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide

C20H24N4O2S — CID 18180537

IUPAC5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc(C(=O)NC3C4CCN(CC4)C3C)s2)cc1
InChIInChI=1S/C20H24N4O2S/c1-12-18(15-7-9-24(12)10-8-15)23-19(26)20-21-11-17(27-20)14-3-5-16(6-4-14)22-13(2)25/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIXEZMKHOTQXOCB-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.98
Rot. Bonds4

About 5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide

5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 18180537) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID18180537
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc(C(=O)NC3C4CCN(CC4)C3C)s2)cc1
InChIInChI=1S/C20H24N4O2S/c1-12-18(15-7-9-24(12)10-8-15)23-19(26)20-21-11-17(27-20)14-3-5-16(6-4-14)22-13(2)25/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIXEZMKHOTQXOCB-UHFFFAOYSA-N
XLogP2.98
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide (CID 18180537) is 5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide is CC(=O)Nc1ccc(-c2cnc(C(=O)NC3C4CCN(CC4)C3C)s2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is IXEZMKHOTQXOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12-18(15-7-9-24(12)10-8-15)23-19(26)20-21-11-17(27-20)14-3-5-16(6-4-14)22-13(2)25/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?
5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 18180537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).