2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide

C22H26ClFN6OS — CID 167954600

IUPAC2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide
SMILESCc1nc(Cn2cc(C(C)NC(=O)C(c3c(F)cccc3Cl)N3CCCCC3)nn2)cs1
InChIInChI=1S/C22H26ClFN6OS/c1-14(19-12-30(28-27-19)11-16-13-32-15(2)26-16)25-22(31)21(29-9-4-3-5-10-29)20-17(23)7-6-8-18(20)24/h6-8,12-14,21H,3-5,9-11H2,1-2H3,(H,25,31)
InChIKeyRVAQQHMOXUTXRC-UHFFFAOYSA-N
MW477.01 g/mol
LogP4.29
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide

2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide (PubChem CID 167954600) has the molecular formula C22H26ClFN6OS and a molecular weight of 477.01 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide
PubChem CID167954600
Molecular FormulaC22H26ClFN6OS
Molecular Weight477.01 g/mol
Exact Mass476.16
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide
SMILESCc1nc(Cn2cc(C(C)NC(=O)C(c3c(F)cccc3Cl)N3CCCCC3)nn2)cs1
InChIInChI=1S/C22H26ClFN6OS/c1-14(19-12-30(28-27-19)11-16-13-32-15(2)26-16)25-22(31)21(29-9-4-3-5-10-29)20-17(23)7-6-8-18(20)24/h6-8,12-14,21H,3-5,9-11H2,1-2H3,(H,25,31)
InChIKeyRVAQQHMOXUTXRC-UHFFFAOYSA-N
XLogP4.29
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide (CID 167954600) is 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide is Cc1nc(Cn2cc(C(C)NC(=O)C(c3c(F)cccc3Cl)N3CCCCC3)nn2)cs1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide?
The InChIKey is RVAQQHMOXUTXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN6OS/c1-14(19-12-30(28-27-19)11-16-13-32-15(2)26-16)25-22(31)21(29-9-4-3-5-10-29)20-17(23)7-6-8-18(20)24/h6-8,12-14,21H,3-5,9-11H2,1-2H3,(H,25,31).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide?
2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide has a molecular weight of 477.01 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 167954600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).