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

C18H23N3OS — CID 86275534

IUPACN-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3ccccc3C)CC2)s1
InChIInChI=1S/C18H23N3OS/c1-13-5-3-4-6-17(13)15-7-9-21(10-8-15)12-16-11-19-18(23-16)20-14(2)22/h3-6,11,15H,7-10,12H2,1-2H3,(H,19,20,22)
InChIKeyGFXDVLMMNAWPII-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.79
Rot. Bonds4

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

N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86275534) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86275534
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3ccccc3C)CC2)s1
InChIInChI=1S/C18H23N3OS/c1-13-5-3-4-6-17(13)15-7-9-21(10-8-15)12-16-11-19-18(23-16)20-14(2)22/h3-6,11,15H,7-10,12H2,1-2H3,(H,19,20,22)
InChIKeyGFXDVLMMNAWPII-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 86275534) is N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(c3ccccc3C)CC2)s1.
What is the InChIKey of N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GFXDVLMMNAWPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-5-3-4-6-17(13)15-7-9-21(10-8-15)12-16-11-19-18(23-16)20-14(2)22/h3-6,11,15H,7-10,12H2,1-2H3,(H,19,20,22).
What are the key properties of N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86275534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).