N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

C19H17FN2OS — CID 46471508

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C19H17FN2OS/c1-2-22(13-14-7-6-10-16(20)11-14)19(23)17-12-21-18(24-17)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3
InChIKeyHTQUJTDNUWKGES-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.61
Rot. Bonds5

About N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 46471508) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID46471508
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C19H17FN2OS/c1-2-22(13-14-7-6-10-16(20)11-14)19(23)17-12-21-18(24-17)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3
InChIKeyHTQUJTDNUWKGES-UHFFFAOYSA-N
XLogP4.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 111596080
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55756219
N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18116117
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452
N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43017642
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51073091
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 46471508) is N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is HTQUJTDNUWKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-2-22(13-14-7-6-10-16(20)11-14)19(23)17-12-21-18(24-17)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46471508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).