N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C24H25N3OS — CID 137361814

IUPACN-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(-c4ccccc4)cc3)CC2)s1
InChIInChI=1S/C24H25N3OS/c1-18(28)26-24-25-16-23(29-24)17-27-13-11-20(12-14-27)15-19-7-9-22(10-8-19)21-5-3-2-4-6-21/h2-10,15-16H,11-14,17H2,1H3,(H,25,26,28)
InChIKeyRXOXPFVUYIALIJ-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.45
Rot. Bonds5

About N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 137361814) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID137361814
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC NameN-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(-c4ccccc4)cc3)CC2)s1
InChIInChI=1S/C24H25N3OS/c1-18(28)26-24-25-16-23(29-24)17-27-13-11-20(12-14-27)15-19-7-9-22(10-8-19)21-5-3-2-4-6-21/h2-10,15-16H,11-14,17H2,1H3,(H,25,26,28)
InChIKeyRXOXPFVUYIALIJ-UHFFFAOYSA-N
XLogP5.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 137361814) is N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(-c4ccccc4)cc3)CC2)s1.
What is the InChIKey of N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RXOXPFVUYIALIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-18(28)26-24-25-16-23(29-24)17-27-13-11-20(12-14-27)15-19-7-9-22(10-8-19)21-5-3-2-4-6-21/h2-10,15-16H,11-14,17H2,1H3,(H,25,26,28).
What are the key properties of N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 403.55 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(4-phenylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 137361814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).