N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

C24H24ClN3O3S — CID 93014348

IUPACN-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O3S/c25-17-12-10-16(11-13-17)23(29)27-19-8-4-5-9-20(19)28-24(30)21-15-32-22(26-21)14-31-18-6-2-1-3-7-18/h1-3,6-7,10-13,15,19-20H,4-5,8-9,14H2,(H,27,29)(H,28,30)/t19-,20-/m1/s1
InChIKeyJHBNDUBTTUQOKG-WOJBJXKFSA-N
MW469.99 g/mol
LogP4.85
Rot. Bonds7

About N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 93014348) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID93014348
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC NameN-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O3S/c25-17-12-10-16(11-13-17)23(29)27-19-8-4-5-9-20(19)28-24(30)21-15-32-22(26-21)14-31-18-6-2-1-3-7-18/h1-3,6-7,10-13,15,19-20H,4-5,8-9,14H2,(H,27,29)(H,28,30)/t19-,20-/m1/s1
InChIKeyJHBNDUBTTUQOKG-WOJBJXKFSA-N
XLogP4.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879965
N-[(1S,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93014391
N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 46105804
2-(phenoxymethyl)-N-[(1S,2R)-2-[[4-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014437
N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 46105789
2-[(4-chlorophenoxy)methyl]-N-[(1R,2S)-2-(phenylcarbamoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014783
N-[(1R,2R)-2-(benzylcarbamoylamino)cyclohexyl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014794
2-(phenoxymethyl)-N-[(1S,2S)-2-[[3-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014407
N-[2-[(4-tert-butylbenzoyl)amino]cyclohexyl]-2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106045
N-[(1R,2S)-2-[(2-chlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014458
N-[(1R,2S)-2-[(4-ethylbenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014537
2-[(4-chlorophenoxy)methyl]-N-[2-[(2-ethoxyphenyl)carbamoylamino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 42880049

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide (CID 93014348) is N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide is O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JHBNDUBTTUQOKG-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c25-17-12-10-16(11-13-17)23(29)27-19-8-4-5-9-20(19)28-24(30)21-15-32-22(26-21)14-31-18-6-2-1-3-7-18/h1-3,6-7,10-13,15,19-20H,4-5,8-9,14H2,(H,27,29)(H,28,30)/t19-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 93014348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).