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

C22H17N7O2S — CID 58094930

IUPACN-[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
SMILESCC(=O)Nc1cc(-c2nc(-c3ccc(-c4nnc(C)o4)cc3)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C22H17N7O2S/c1-12(30)26-17-11-16(7-8-23-17)22-27-18(19(32-22)20-24-9-10-25-20)14-3-5-15(6-4-14)21-29-28-13(2)31-21/h3-11H,1-2H3,(H,24,25)(H,23,26,30)
InChIKeyRXXNSLNMCCPOST-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.58
Rot. Bonds5

About 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

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 (PubChem CID 58094930) has the molecular formula C22H17N7O2S and a molecular weight of 443.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID58094930
Molecular FormulaC22H17N7O2S
Molecular Weight443.49 g/mol
Exact Mass443.12
IUPAC NameN-[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
SMILESCC(=O)Nc1cc(-c2nc(-c3ccc(-c4nnc(C)o4)cc3)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C22H17N7O2S/c1-12(30)26-17-11-16(7-8-23-17)22-27-18(19(32-22)20-24-9-10-25-20)14-3-5-15(6-4-14)21-29-28-13(2)31-21/h3-11H,1-2H3,(H,24,25)(H,23,26,30)
InChIKeyRXXNSLNMCCPOST-UHFFFAOYSA-N
XLogP4.58
TPSA122.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cc(-c2nc(-c3ccc(-c4nnc(C)o4)cc3)c(-c3ncc[nH]3)s2)ccn1.
What is the InChIKey of 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?
The InChIKey is RXXNSLNMCCPOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O2S/c1-12(30)26-17-11-16(7-8-23-17)22-27-18(19(32-22)20-24-9-10-25-20)14-3-5-15(6-4-14)21-29-28-13(2)31-21/h3-11H,1-2H3,(H,24,25)(H,23,26,30).
What are the key properties of 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?
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 has a molecular weight of 443.49 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58094930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).