N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide

C21H22N4OS — CID 18142784

IUPACN-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2csc(-c3ccccn3)n2)CC1)c1ccccc1
InChIInChI=1S/C21H22N4OS/c26-20(16-6-2-1-3-7-16)23-17-9-12-25(13-10-17)14-18-15-27-21(24-18)19-8-4-5-11-22-19/h1-8,11,15,17H,9-10,12-14H2,(H,23,26)
InChIKeyNMQFWMXJUGUELM-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.60
Rot. Bonds5

About N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide

N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 18142784) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide
PubChem CID18142784
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC NameN-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2csc(-c3ccccn3)n2)CC1)c1ccccc1
InChIInChI=1S/C21H22N4OS/c26-20(16-6-2-1-3-7-16)23-17-9-12-25(13-10-17)14-18-15-27-21(24-18)19-8-4-5-11-22-19/h1-8,11,15,17H,9-10,12-14H2,(H,23,26)
InChIKeyNMQFWMXJUGUELM-UHFFFAOYSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 60711339
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648086
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79370396
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
4-(difluoromethoxy)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058915
4-(4-methylpiperidin-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 46977137

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide (CID 18142784) is N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2csc(-c3ccccn3)n2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is NMQFWMXJUGUELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-20(16-6-2-1-3-7-16)23-17-9-12-25(13-10-17)14-18-15-27-21(24-18)19-8-4-5-11-22-19/h1-8,11,15,17H,9-10,12-14H2,(H,23,26).
What are the key properties of N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide?
N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 378.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 18142784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).