N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

C24H22Cl2FN3O3S — CID 46106236

IUPACN-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2csc(COc3ccccc3F)n2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H22Cl2FN3O3S/c25-17-10-5-14(11-18(17)26)23(31)28-15-6-8-16(9-7-15)29-24(32)20-13-34-22(30-20)12-33-21-4-2-1-3-19(21)27/h1-5,10-11,13,15-16H,6-9,12H2,(H,28,31)(H,29,32)
InChIKeyFEODEXQVMBTHJQ-UHFFFAOYSA-N
MW522.43 g/mol
LogP5.64
Rot. Bonds7

About N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46106236) has the molecular formula C24H22Cl2FN3O3S and a molecular weight of 522.43 g/mol. Its IUPAC name is N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46106236
Molecular FormulaC24H22Cl2FN3O3S
Molecular Weight522.43 g/mol
Exact Mass521.07
IUPAC NameN-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2csc(COc3ccccc3F)n2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H22Cl2FN3O3S/c25-17-10-5-14(11-18(17)26)23(31)28-15-6-8-16(9-7-15)29-24(32)20-13-34-22(30-20)12-33-21-4-2-1-3-19(21)27/h1-5,10-11,13,15-16H,6-9,12H2,(H,28,31)(H,29,32)
InChIKeyFEODEXQVMBTHJQ-UHFFFAOYSA-N
XLogP5.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.43
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24713029
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106176
N-[4-[(3-bromobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106244
2-[(2-fluorophenoxy)methyl]-N-[4-[[(3R)-3,5,5-trimethylhexanoyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014726
N-[(1R,2S)-2-[(3-chloro-4-fluorophenyl)carbamoylamino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93015004
N-[2-[(2,4-dichlorophenyl)carbamoylamino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106445
2-[(2-fluorophenoxy)methyl]-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1,3-thiazole-4-carboxamide
CID 46106194
2-[(2-fluorophenoxy)methyl]-N-[(1R,2S)-2-[(2-fluorophenyl)carbamoylamino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014959
N-[(1S,2R)-2-[(3,4-dimethylphenyl)carbamoylamino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014996
N-cyclopropyl-2-[2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866306
ethyl 4-[[(1R,2R)-2-[[2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carbonyl]amino]cyclohexyl]amino]-4-oxobutanoate
CID 93014746
N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93014348

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 46106236) is N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is O=C(NC1CCC(NC(=O)c2csc(COc3ccccc3F)n2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FEODEXQVMBTHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN3O3S/c25-17-10-5-14(11-18(17)26)23(31)28-15-6-8-16(9-7-15)29-24(32)20-13-34-22(30-20)12-33-21-4-2-1-3-19(21)27/h1-5,10-11,13,15-16H,6-9,12H2,(H,28,31)(H,29,32).
What are the key properties of N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 522.43 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46106236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).