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

C19H23N3O2S — CID 137361193

IUPACN-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1C=C1CCN(Cc2cnc(NC(C)=O)s2)CC1
InChIInChI=1S/C19H23N3O2S/c1-14(23)21-19-20-12-17(25-19)13-22-9-7-15(8-10-22)11-16-5-3-4-6-18(16)24-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,21,23)
InChIKeyWVCCPMYQUJSKHL-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.79
Rot. Bonds5

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

N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 137361193) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID137361193
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1C=C1CCN(Cc2cnc(NC(C)=O)s2)CC1
InChIInChI=1S/C19H23N3O2S/c1-14(23)21-19-20-12-17(25-19)13-22-9-7-15(8-10-22)11-16-5-3-4-6-18(16)24-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,21,23)
InChIKeyWVCCPMYQUJSKHL-UHFFFAOYSA-N
XLogP3.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 137361193) is N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1ccccc1C=C1CCN(Cc2cnc(NC(C)=O)s2)CC1.
What is the InChIKey of N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WVCCPMYQUJSKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14(23)21-19-20-12-17(25-19)13-22-9-7-15(8-10-22)11-16-5-3-4-6-18(16)24-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,21,23).
What are the key properties of N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(2-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 137361193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).