3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide

C24H27N3O3S — CID 155565343

IUPAC3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(C3CCN(C)CC3)s2)c1
InChIInChI=1S/C24H27N3O3S/c1-27-11-9-17(10-12-27)22-21(16-7-5-4-6-8-16)25-24(31-22)26-23(28)18-13-19(29-2)15-20(14-18)30-3/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26,28)
InChIKeyKUWHPFMTWJJDRK-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.89
Rot. Bonds6

About 3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide

3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 155565343) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID155565343
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(C3CCN(C)CC3)s2)c1
InChIInChI=1S/C24H27N3O3S/c1-27-11-9-17(10-12-27)22-21(16-7-5-4-6-8-16)25-24(31-22)26-23(28)18-13-19(29-2)15-20(14-18)30-3/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26,28)
InChIKeyKUWHPFMTWJJDRK-UHFFFAOYSA-N
XLogP4.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 155565343) is 3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(C3CCN(C)CC3)s2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is KUWHPFMTWJJDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-27-11-9-17(10-12-27)22-21(16-7-5-4-6-8-16)25-24(31-22)26-23(28)18-13-19(29-2)15-20(14-18)30-3/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26,28).
What are the key properties of 3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 437.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 155565343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).