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

C20H25N3OS — CID 129251553

IUPACN-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
InChIInChI=1S/C20H25N3OS/c1-3-16-4-6-17(7-5-16)12-18-8-10-23(11-9-18)14-19-13-21-20(25-19)22-15(2)24/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,22,24)
InChIKeyGEEKMBQAORXAHZ-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.34
Rot. Bonds5

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

N-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251553) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251553
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
InChIInChI=1S/C20H25N3OS/c1-3-16-4-6-17(7-5-16)12-18-8-10-23(11-9-18)14-19-13-21-20(25-19)22-15(2)24/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,22,24)
InChIKeyGEEKMBQAORXAHZ-UHFFFAOYSA-N
XLogP4.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.34
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-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251553) is N-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCc1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1.
What is the InChIKey of N-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GEEKMBQAORXAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-3-16-4-6-17(7-5-16)12-18-8-10-23(11-9-18)14-19-13-21-20(25-19)22-15(2)24/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,22,24).
What are the key properties of N-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(4-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 355.51 g/mol, XLogP of 4.34, 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-ethylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).