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

C19H23N3OS — CID 129251601

IUPACN-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(C)cc3)CC2)s1
InChIInChI=1S/C19H23N3OS/c1-14-3-5-16(6-4-14)11-17-7-9-22(10-8-17)13-18-12-20-19(24-18)21-15(2)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,21,23)
InChIKeyOYDBUKZJPXXZLI-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.09
Rot. Bonds4

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

N-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251601) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251601
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(C)cc3)CC2)s1
InChIInChI=1S/C19H23N3OS/c1-14-3-5-16(6-4-14)11-17-7-9-22(10-8-17)13-18-12-20-19(24-18)21-15(2)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,21,23)
InChIKeyOYDBUKZJPXXZLI-UHFFFAOYSA-N
XLogP4.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.09
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-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251601) is N-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(C)cc3)CC2)s1.
What is the InChIKey of N-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OYDBUKZJPXXZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-3-5-16(6-4-14)11-17-7-9-22(10-8-17)13-18-12-20-19(24-18)21-15(2)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,21,23).
What are the key properties of N-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 341.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(4-methylphenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).