2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide

C27H25N3O3S — CID 23734959

IUPAC2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1csc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)n1
InChIInChI=1S/C27H25N3O3S/c31-25(28-21-10-9-17-5-1-3-7-20(17)21)22-16-34-26(29-22)18-11-13-30(14-12-18)27(32)24-15-19-6-2-4-8-23(19)33-24/h1-8,15-16,18,21H,9-14H2,(H,28,31)
InChIKeyJZPOOVRECLKWJF-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.33
Rot. Bonds4

About 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide

2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 23734959) has the molecular formula C27H25N3O3S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID23734959
Molecular FormulaC27H25N3O3S
Molecular Weight471.58 g/mol
Exact Mass471.16
IUPAC Name2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1csc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)n1
InChIInChI=1S/C27H25N3O3S/c31-25(28-21-10-9-17-5-1-3-7-20(17)21)22-16-34-26(29-22)18-11-13-30(14-12-18)27(32)24-15-19-6-2-4-8-23(19)33-24/h1-8,15-16,18,21H,9-14H2,(H,28,31)
InChIKeyJZPOOVRECLKWJF-UHFFFAOYSA-N
XLogP5.33
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23789984
N-(2,3-dihydro-1H-inden-1-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3350550
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 23849343
1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 3751575
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3809352
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 23855448
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide
CID 23935966
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3678647
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 3701357
ethyl 2-[4-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetate
CID 3449970
2-[1-[2-(2-chlorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 4983271
N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3715181

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide (CID 23734959) is 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCc2ccccc21)c1csc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)n1.
What is the InChIKey of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JZPOOVRECLKWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S/c31-25(28-21-10-9-17-5-1-3-7-20(17)21)22-16-34-26(29-22)18-11-13-30(14-12-18)27(32)24-15-19-6-2-4-8-23(19)33-24/h1-8,15-16,18,21H,9-14H2,(H,28,31).
What are the key properties of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide?
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23734959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).