N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide

C23H25FN2O2S — CID 91405330

IUPACN-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCOc2ccc(F)cc2)c(CCCc2ccccc2)s1
InChIInChI=1S/C23H25FN2O2S/c1-17-26-22(21(29-17)10-5-9-18-7-3-2-4-8-18)23(27)25-15-6-16-28-20-13-11-19(24)12-14-20/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,25,27)
InChIKeyJRJRMLKBUCYHQJ-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.96
Rot. Bonds10

About N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide

N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 91405330) has the molecular formula C23H25FN2O2S and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID91405330
Molecular FormulaC23H25FN2O2S
Molecular Weight412.53 g/mol
Exact Mass412.16
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCOc2ccc(F)cc2)c(CCCc2ccccc2)s1
InChIInChI=1S/C23H25FN2O2S/c1-17-26-22(21(29-17)10-5-9-18-7-3-2-4-8-18)23(27)25-15-6-16-28-20-13-11-19(24)12-14-20/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,25,27)
InChIKeyJRJRMLKBUCYHQJ-UHFFFAOYSA-N
XLogP4.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.96
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

N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37362690
N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
CID 32644414
2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide
CID 110627301
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 112817351
3-[2-[3-(4-fluorophenoxy)propyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82154428
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
CID 110395095

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide (CID 91405330) is N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCCOc2ccc(F)cc2)c(CCCc2ccccc2)s1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JRJRMLKBUCYHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2S/c1-17-26-22(21(29-17)10-5-9-18-7-3-2-4-8-18)23(27)25-15-6-16-28-20-13-11-19(24)12-14-20/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,25,27).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91405330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).