N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide

C19H23N3O2S — CID 17362343

IUPACN-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(CCC1CCCCC1)Nc1cccc(NC(=O)c2nccs2)c1
InChIInChI=1S/C19H23N3O2S/c23-17(10-9-14-5-2-1-3-6-14)21-15-7-4-8-16(13-15)22-18(24)19-20-11-12-25-19/h4,7-8,11-14H,1-3,5-6,9-10H2,(H,21,23)(H,22,24)
InChIKeyNVGFSLMQAOMNII-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.69
Rot. Bonds6

About N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide

N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 17362343) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID17362343
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(CCC1CCCCC1)Nc1cccc(NC(=O)c2nccs2)c1
InChIInChI=1S/C19H23N3O2S/c23-17(10-9-14-5-2-1-3-6-14)21-15-7-4-8-16(13-15)22-18(24)19-20-11-12-25-19/h4,7-8,11-14H,1-3,5-6,9-10H2,(H,21,23)(H,22,24)
InChIKeyNVGFSLMQAOMNII-UHFFFAOYSA-N
XLogP4.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide
CID 142955503
N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926378
3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60802431
3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide
CID 90556846
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233
3-[3-(3-cyclobutylpropanoylamino)phenyl]propanoic acid
CID 120538120
ethyl 3-(3-cyclopentylpropanoylamino)benzoate
CID 837279
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide (CID 17362343) is N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide is O=C(CCC1CCCCC1)Nc1cccc(NC(=O)c2nccs2)c1.
What is the InChIKey of N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is NVGFSLMQAOMNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-17(10-9-14-5-2-1-3-6-14)21-15-7-4-8-16(13-15)22-18(24)19-20-11-12-25-19/h4,7-8,11-14H,1-3,5-6,9-10H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide?
N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 17362343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).