2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

C18H16FN3O2S — CID 16954889

IUPAC2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C18H16FN3O2S/c1-2-24-15-9-7-14(8-10-15)21-18-22-16(11-25-18)17(23)20-13-5-3-12(19)4-6-13/h3-11H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeyPGODSGLJBOARNU-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.68
Rot. Bonds6

About 2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16954889) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID16954889
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C18H16FN3O2S/c1-2-24-15-9-7-14(8-10-15)21-18-22-16(11-25-18)17(23)20-13-5-3-12(19)4-6-13/h3-11H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeyPGODSGLJBOARNU-UHFFFAOYSA-N
XLogP4.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954928
N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954943
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954939
2-(4-ethoxyanilino)-N-(2-methoxy-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16954960
2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16954861
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954988
N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948969
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 16954889) is 2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(Nc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PGODSGLJBOARNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-2-24-15-9-7-14(8-10-15)21-18-22-16(11-25-18)17(23)20-13-5-3-12(19)4-6-13/h3-11H,2H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16954889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).