N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C23H26N4OS — CID 55798536

IUPACN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC1CCCN(Cc2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)cc2)C1
InChIInChI=1S/C23H26N4OS/c1-17-4-3-11-27(14-17)15-18-6-8-20(9-7-18)25-22(28)12-21-16-29-23(26-21)19-5-2-10-24-13-19/h2,5-10,13,16-17H,3-4,11-12,14-15H2,1H3,(H,25,28)
InChIKeyWYZRXQFYNMSSGU-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.62
Rot. Bonds6

About N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55798536) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55798536
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC1CCCN(Cc2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)cc2)C1
InChIInChI=1S/C23H26N4OS/c1-17-4-3-11-27(14-17)15-18-6-8-20(9-7-18)25-22(28)12-21-16-29-23(26-21)19-5-2-10-24-13-19/h2,5-10,13,16-17H,3-4,11-12,14-15H2,1H3,(H,25,28)
InChIKeyWYZRXQFYNMSSGU-UHFFFAOYSA-N
XLogP4.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55868596
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55798738
2-methyl-N-[4-[2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55798546
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55655382
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 75383767
1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24586614
2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749070
N-(1-piperidin-1-ylbutan-2-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 16674001
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 55798536) is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CC1CCCN(Cc2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)cc2)C1.
What is the InChIKey of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WYZRXQFYNMSSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-17-4-3-11-27(14-17)15-18-6-8-20(9-7-18)25-22(28)12-21-16-29-23(26-21)19-5-2-10-24-13-19/h2,5-10,13,16-17H,3-4,11-12,14-15H2,1H3,(H,25,28).
What are the key properties of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 406.56 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55798536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).