N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide

C19H24N2O2S — CID 24516413

IUPACN-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H24N2O2S/c22-18(20-12-7-13-23-16-10-5-2-6-11-16)17-14-24-19(21-17)15-8-3-1-4-9-15/h1,3-4,8-9,14,16H,2,5-7,10-13H2,(H,20,22)
InChIKeyNFJJPWFUULTFOR-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.28
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 24516413) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID24516413
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H24N2O2S/c22-18(20-12-7-13-23-16-10-5-2-6-11-16)17-14-24-19(21-17)15-8-3-1-4-9-15/h1,3-4,8-9,14,16H,2,5-7,10-13H2,(H,20,22)
InChIKeyNFJJPWFUULTFOR-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-cyclohexyloxypropyl)-1,3-thiazole-4-carboxamide
CID 62786886
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599245
6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 62233137
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
2-amino-N-(2-cyclopentyloxyethyl)-1,3-thiazole-4-carboxamide
CID 63826341
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18157145
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
2-(2-aminoethyl)-N-(2-cyclohexyloxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120625194
N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide
CID 77096220
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 24516413) is N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NCCCOC1CCCCC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is NFJJPWFUULTFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-18(20-12-7-13-23-16-10-5-2-6-11-16)17-14-24-19(21-17)15-8-3-1-4-9-15/h1,3-4,8-9,14,16H,2,5-7,10-13H2,(H,20,22).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24516413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).