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

C20H25N3O2S — CID 129251662

IUPACN-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(/C=C2\CCN(Cc3cnc(NC(C)=O)s3)[C@H](C)C2)cc1
InChIInChI=1S/C20H25N3O2S/c1-14-10-17(11-16-4-6-18(25-3)7-5-16)8-9-23(14)13-19-12-21-20(26-19)22-15(2)24/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,21,22,24)/b17-11+/t14-/m1/s1
InChIKeyKJYNVLSREUIHLK-SWEABUAFSA-N
MW371.51 g/mol
LogP4.18
Rot. Bonds5

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

N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251662) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251662
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(/C=C2\CCN(Cc3cnc(NC(C)=O)s3)[C@H](C)C2)cc1
InChIInChI=1S/C20H25N3O2S/c1-14-10-17(11-16-4-6-18(25-3)7-5-16)8-9-23(14)13-19-12-21-20(26-19)22-15(2)24/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,21,22,24)/b17-11+/t14-/m1/s1
InChIKeyKJYNVLSREUIHLK-SWEABUAFSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251662) is N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1ccc(/C=C2\CCN(Cc3cnc(NC(C)=O)s3)[C@H](C)C2)cc1.
What is the InChIKey of N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KJYNVLSREUIHLK-SWEABUAFSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14-10-17(11-16-4-6-18(25-3)7-5-16)8-9-23(14)13-19-12-21-20(26-19)22-15(2)24/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,21,22,24)/b17-11+/t14-/m1/s1.
What are the key properties of N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).