N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

C28H27N3O3S — CID 46105804

IUPACN-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCC1NC(=O)c1csc(COc2ccccc2)n1)c1ccc2ccccc2c1
InChIInChI=1S/C28H27N3O3S/c32-27(21-15-14-19-8-4-5-9-20(19)16-21)30-23-12-6-7-13-24(23)31-28(33)25-18-35-26(29-25)17-34-22-10-2-1-3-11-22/h1-5,8-11,14-16,18,23-24H,6-7,12-13,17H2,(H,30,32)(H,31,33)
InChIKeyIPZZEOVXAPUJDG-UHFFFAOYSA-N
MW485.61 g/mol
LogP5.35
Rot. Bonds7

About N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46105804) has the molecular formula C28H27N3O3S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID46105804
Molecular FormulaC28H27N3O3S
Molecular Weight485.61 g/mol
Exact Mass485.18
IUPAC NameN-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCC1NC(=O)c1csc(COc2ccccc2)n1)c1ccc2ccccc2c1
InChIInChI=1S/C28H27N3O3S/c32-27(21-15-14-19-8-4-5-9-20(19)16-21)30-23-12-6-7-13-24(23)31-28(33)25-18-35-26(29-25)17-34-22-10-2-1-3-11-22/h1-5,8-11,14-16,18,23-24H,6-7,12-13,17H2,(H,30,32)(H,31,33)
InChIKeyIPZZEOVXAPUJDG-UHFFFAOYSA-N
XLogP5.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93014348
N-[(1S,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93014391
2-(phenoxymethyl)-N-[(1S,2R)-2-[[4-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014437
2-(phenoxymethyl)-N-[(1S,2S)-2-[[3-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014407
N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 46105789
N-[(1S,2R)-2-(butylcarbamoylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93014756
N-[2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879965
2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014469
2-[(4-methylphenoxy)methyl]-N-[(1R,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014468
N-[2-[(4-tert-butylbenzoyl)amino]cyclohexyl]-2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106045
N-[(1R,2S)-2-[(4-ethylbenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014537
2-[(4-chlorophenoxy)methyl]-N-[(1R,2S)-2-(phenylcarbamoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014783

Frequently Asked Questions

What is the IUPAC name of N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide (CID 46105804) is N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide is O=C(NC1CCCCC1NC(=O)c1csc(COc2ccccc2)n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IPZZEOVXAPUJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S/c32-27(21-15-14-19-8-4-5-9-20(19)16-21)30-23-12-6-7-13-24(23)31-28(33)25-18-35-26(29-25)17-34-22-10-2-1-3-11-22/h1-5,8-11,14-16,18,23-24H,6-7,12-13,17H2,(H,30,32)(H,31,33).
What are the key properties of N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46105804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).