N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide

C25H23N3O3S — CID 91624555

IUPACN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C25H23N3O3S/c29-23(20-16-32-24(27-20)18-6-2-1-3-7-18)26-15-17-10-12-28(13-11-17)25(30)22-14-19-8-4-5-9-21(19)31-22/h1-9,14,16-17H,10-13,15H2,(H,26,29)
InChIKeyHRQVXYOIVRZGSL-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.84
Rot. Bonds5

About N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 91624555) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID91624555
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C25H23N3O3S/c29-23(20-16-32-24(27-20)18-6-2-1-3-7-18)26-15-17-10-12-28(13-11-17)25(30)22-14-19-8-4-5-9-21(19)31-22/h1-9,14,16-17H,10-13,15H2,(H,26,29)
InChIKeyHRQVXYOIVRZGSL-UHFFFAOYSA-N
XLogP4.84
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3a,7a-dihydro-1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
CID 155548816
N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6464408
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6468644
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095213
1-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144370
2-methyl-N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 70685886
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 123759102
cis-1,2-Diaminocyclohexane derivative, 8b
CID 44520908
cis-1,2-Diaminocyclohexane derivative, 8c
CID 44520909
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
N-[4-(1,3-benzothiazol-2-yl)benzyl]-1-benzofuran-2-carboxamide
CID 1254657

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 91624555) is N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is HRQVXYOIVRZGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c29-23(20-16-32-24(27-20)18-6-2-1-3-7-18)26-15-17-10-12-28(13-11-17)25(30)22-14-19-8-4-5-9-21(19)31-22/h1-9,14,16-17H,10-13,15H2,(H,26,29).
What are the key properties of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91624555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).