2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide

C24H24ClF3N4O2S — CID 164517820

IUPAC2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide
SMILESCc1cccnc1OC1CCN(C(CNC(=O)c2c(F)cccc2Cl)c2scnc2C(F)F)CC1
InChIInChI=1S/C24H24ClF3N4O2S/c1-14-4-3-9-29-24(14)34-15-7-10-32(11-8-15)18(21-20(22(27)28)31-13-35-21)12-30-23(33)19-16(25)5-2-6-17(19)26/h2-6,9,13,15,18,22H,7-8,10-12H2,1H3,(H,30,33)
InChIKeyVIWGNGJLCGYIOM-UHFFFAOYSA-N
MW525.00 g/mol
LogP5.59
Rot. Bonds8

About 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide

2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide (PubChem CID 164517820) has the molecular formula C24H24ClF3N4O2S and a molecular weight of 525.00 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide
PubChem CID164517820
Molecular FormulaC24H24ClF3N4O2S
Molecular Weight525.00 g/mol
Exact Mass524.13
IUPAC Name2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide
SMILESCc1cccnc1OC1CCN(C(CNC(=O)c2c(F)cccc2Cl)c2scnc2C(F)F)CC1
InChIInChI=1S/C24H24ClF3N4O2S/c1-14-4-3-9-29-24(14)34-15-7-10-32(11-8-15)18(21-20(22(27)28)31-13-35-21)12-30-23(33)19-16(25)5-2-6-17(19)26/h2-6,9,13,15,18,22H,7-8,10-12H2,1H3,(H,30,33)
InChIKeyVIWGNGJLCGYIOM-UHFFFAOYSA-N
XLogP5.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.00
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide 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-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide (CID 164517820) is 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide is Cc1cccnc1OC1CCN(C(CNC(=O)c2c(F)cccc2Cl)c2scnc2C(F)F)CC1.
What is the InChIKey of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide?
The InChIKey is VIWGNGJLCGYIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2S/c1-14-4-3-9-29-24(14)34-15-7-10-32(11-8-15)18(21-20(22(27)28)31-13-35-21)12-30-23(33)19-16(25)5-2-6-17(19)26/h2-6,9,13,15,18,22H,7-8,10-12H2,1H3,(H,30,33).
What are the key properties of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide?
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide has a molecular weight of 525.00 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide is sourced from PubChem (CID 164517820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).