3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

C22H19N3O3S — CID 44583560

IUPAC3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21
InChIInChI=1S/C22H19N3O3S/c26-19-16-8-4-5-9-17(16)22(28-19)10-12-25(13-11-22)21(27)24-20-23-18(14-29-20)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)
InChIKeyVUPDMJLETWSFDS-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.50
Rot. Bonds2

About 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (PubChem CID 44583560) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
PubChem CID44583560
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21
InChIInChI=1S/C22H19N3O3S/c26-19-16-8-4-5-9-17(16)22(28-19)10-12-25(13-11-22)21(27)24-20-23-18(14-29-20)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)
InChIKeyVUPDMJLETWSFDS-UHFFFAOYSA-N
XLogP4.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-benzofuran-1(3H)-one
CID 6710578
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
CID 3693619
Methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 58033027
Ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 2334129
1'-(1,3-Benzothiazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 44580502
Methyl 6-[2-(4-amino-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]naphthalene-2-carboxylate
CID 137644101
Methyl 4-[3-[2-(4-amino-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]phenyl]benzoate
CID 137657610
Methyl 2-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoate
CID 71450672
Ethyl 3-[2-(2-amino-1,3-thiazol-4-yl)phenyl]benzoate
CID 71452501
3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-6,7-didehydro-3H-2-benzofuran-1-one
CID 3152839
3-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}-2-benzofuran-1(3H)-one
CID 3801783
Methyl 4-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl}benzoate
CID 5079362

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (CID 44583560) is 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is O=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21.
What is the InChIKey of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The InChIKey is VUPDMJLETWSFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-19-16-8-4-5-9-17(16)22(28-19)10-12-25(13-11-22)21(27)24-20-23-18(14-29-20)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27).
What are the key properties of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).