N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

C25H24N6O2S — CID 118258115

IUPACN-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3ccc(C(=O)N4CCCCC4)cc3)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C25H24N6O2S/c1-16(32)29-20-15-19(9-10-26-20)24-30-21(22(34-24)23-27-11-12-28-23)17-5-7-18(8-6-17)25(33)31-13-3-2-4-14-31/h5-12,15H,2-4,13-14H2,1H3,(H,27,28)(H,26,29,32)
InChIKeyQLNQWNBYOFNKJO-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.85
Rot. Bonds5

About N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (PubChem CID 118258115) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
PubChem CID118258115
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC NameN-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3ccc(C(=O)N4CCCCC4)cc3)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C25H24N6O2S/c1-16(32)29-20-15-19(9-10-26-20)24-30-21(22(34-24)23-27-11-12-28-23)17-5-7-18(8-6-17)25(33)31-13-3-2-4-14-31/h5-12,15H,2-4,13-14H2,1H3,(H,27,28)(H,26,29,32)
InChIKeyQLNQWNBYOFNKJO-UHFFFAOYSA-N
XLogP4.85
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(1H-imidazol-2-yl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
CID 58094930
N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
CID 58095220
N-[4-[4-(6-amino-3-pyridinyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(1,3-benzodioxol-5-yl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;1-[4-[4-(2-chloro-4-methoxyphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-(5-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
CID 160592503
1-[4-[4-[4-(dimethylamino)phenyl]-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one
CID 58094743
1-[4-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-methyl-2-pyridinyl]propan-2-one
CID 58095093
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
N-[4-[4-(azetidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]acetamide
CID 66576252
2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one
CID 143435170
pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone
CID 58087868
N-[4-[5-(4-fluorophenyl)-1-oxido-3-(2-piperidin-1-ylethyl)imidazol-1-ium-4-yl]-2-pyridinyl]acetamide
CID 11750588

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (CID 118258115) is N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nc(-c3ccc(C(=O)N4CCCCC4)cc3)c(-c3ncc[nH]3)s2)ccn1.
What is the InChIKey of N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The InChIKey is QLNQWNBYOFNKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-16(32)29-20-15-19(9-10-26-20)24-30-21(22(34-24)23-27-11-12-28-23)17-5-7-18(8-6-17)25(33)31-13-3-2-4-14-31/h5-12,15H,2-4,13-14H2,1H3,(H,27,28)(H,26,29,32).
What are the key properties of N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 472.57 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1H-imidazol-2-yl)-4-[4-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118258115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).