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

C19H23N3O2S — CID 129251488

IUPACN-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1
InChIInChI=1S/C19H23N3O2S/c1-14(23)21-19-20-12-18(25-19)13-22-8-6-15(7-9-22)10-16-4-3-5-17(11-16)24-2/h3-5,10-12H,6-9,13H2,1-2H3,(H,20,21,23)
InChIKeySLCCUDUGIBRMTC-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.79
Rot. Bonds5

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

N-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251488) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251488
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1
InChIInChI=1S/C19H23N3O2S/c1-14(23)21-19-20-12-18(25-19)13-22-8-6-15(7-9-22)10-16-4-3-5-17(11-16)24-2/h3-5,10-12H,6-9,13H2,1-2H3,(H,20,21,23)
InChIKeySLCCUDUGIBRMTC-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-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251488) is N-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1cccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1.
What is the InChIKey of N-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SLCCUDUGIBRMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14(23)21-19-20-12-18(25-19)13-22-8-6-15(7-9-22)10-16-4-3-5-17(11-16)24-2/h3-5,10-12H,6-9,13H2,1-2H3,(H,20,21,23).
What are the key properties of N-[5-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(3-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-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).