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

C18H18N4O2S — CID 78869353

IUPACN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESN#Cc1ccc(Cc2cnc(NC(=O)CN3CCCCC3=O)s2)cc1
InChIInChI=1S/C18H18N4O2S/c19-10-14-6-4-13(5-7-14)9-15-11-20-18(25-15)21-16(23)12-22-8-2-1-3-17(22)24/h4-7,11H,1-3,8-9,12H2,(H,20,21,23)
InChIKeyDERWWLKFLRURNC-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.56
Rot. Bonds5

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

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 78869353) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID78869353
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESN#Cc1ccc(Cc2cnc(NC(=O)CN3CCCCC3=O)s2)cc1
InChIInChI=1S/C18H18N4O2S/c19-10-14-6-4-13(5-7-14)9-15-11-20-18(25-15)21-16(23)12-22-8-2-1-3-17(22)24/h4-7,11H,1-3,8-9,12H2,(H,20,21,23)
InChIKeyDERWWLKFLRURNC-UHFFFAOYSA-N
XLogP2.56
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78869515
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 33293472
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 155153155
1-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074653
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 78904432
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18130137
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
CID 51111804
N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 78869341
4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 78883719
1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78883708
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78843727
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-nitrophenoxy)propanamide
CID 78883724

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide (CID 78869353) is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide is N#Cc1ccc(Cc2cnc(NC(=O)CN3CCCCC3=O)s2)cc1.
What is the InChIKey of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is DERWWLKFLRURNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c19-10-14-6-4-13(5-7-14)9-15-11-20-18(25-15)21-16(23)12-22-8-2-1-3-17(22)24/h4-7,11H,1-3,8-9,12H2,(H,20,21,23).
What are the key properties of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 78869353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).