2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide

C23H23N3O2S — CID 70688169

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1C1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C23H23N3O2S/c27-22(25-19-4-2-1-3-18(19)15-7-10-24-11-8-15)20-14-29-23(26-20)17-5-6-21-16(13-17)9-12-28-21/h1-6,13-15,24H,7-12H2,(H,25,27)
InChIKeySXFHDLTUBXLJKI-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.46
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 70688169) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID70688169
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1C1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C23H23N3O2S/c27-22(25-19-4-2-1-3-18(19)15-7-10-24-11-8-15)20-14-29-23(26-20)17-5-6-21-16(13-17)9-12-28-21/h1-6,13-15,24H,7-12H2,(H,25,27)
InChIKeySXFHDLTUBXLJKI-UHFFFAOYSA-N
XLogP4.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide (CID 70688169) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1C1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SXFHDLTUBXLJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-22(25-19-4-2-1-3-18(19)15-7-10-24-11-8-15)20-14-29-23(26-20)17-5-6-21-16(13-17)9-12-28-21/h1-6,13-15,24H,7-12H2,(H,25,27).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperidin-4-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70688169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).