3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide

C24H25ClFN3O2S — CID 23108813

IUPAC3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCc1scnc1C1(O)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H25ClFN3O2S/c1-16-19(3-2-4-20(16)25)23(30)27-13-21-22(28-15-32-21)24(31)9-11-29(12-10-24)14-17-5-7-18(26)8-6-17/h2-8,15,31H,9-14H2,1H3,(H,27,30)
InChIKeyPOXKBEUZWYLFNM-UHFFFAOYSA-N
MW474.00 g/mol
LogP4.66
Rot. Bonds6

About 3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide

3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide (PubChem CID 23108813) has the molecular formula C24H25ClFN3O2S and a molecular weight of 474.00 g/mol. Its IUPAC name is 3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
PubChem CID23108813
Molecular FormulaC24H25ClFN3O2S
Molecular Weight474.00 g/mol
Exact Mass473.13
IUPAC Name3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCc1scnc1C1(O)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H25ClFN3O2S/c1-16-19(3-2-4-20(16)25)23(30)27-13-21-22(28-15-32-21)24(31)9-11-29(12-10-24)14-17-5-7-18(26)8-6-17/h2-8,15,31H,9-14H2,1H3,(H,27,30)
InChIKeyPOXKBEUZWYLFNM-UHFFFAOYSA-N
XLogP4.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide
CID 57499786
3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
CID 23108491
4-chloro-N-[[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1,3-thiazol-5-yl]methyl]benzamide
CID 23108478
3-chloro-N-[[4-[4-[(3,4-dimethoxyphenyl)methyl]-3-methylpiperazin-1-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
CID 23108802
3-chloro-N-[[2-[4-cyano-1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
CID 23108593
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108849
3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide
CID 114189517
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
CID 107096897
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
N-[[4-(bromomethyl)phenyl]methyl]-3-chloro-2-methylbenzamide
CID 107233695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide?
The IUPAC name of 3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide (CID 23108813) is 3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NCc1scnc1C1(O)CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide?
The InChIKey is POXKBEUZWYLFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O2S/c1-16-19(3-2-4-20(16)25)23(30)27-13-21-22(28-15-32-21)24(31)9-11-29(12-10-24)14-17-5-7-18(26)8-6-17/h2-8,15,31H,9-14H2,1H3,(H,27,30).
What are the key properties of 3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide?
3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide has a molecular weight of 474.00 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 23108813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).