N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C18H15FN2O2S — CID 1472610

IUPACN-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C18H15FN2O2S/c1-23-15-8-2-12(3-9-15)10-17-21-16(11-24-17)18(22)20-14-6-4-13(19)5-7-14/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyNWKDRKIQGWRIPJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.13
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 1472610) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID1472610
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC NameN-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C18H15FN2O2S/c1-23-15-8-2-12(3-9-15)10-17-21-16(11-24-17)18(22)20-14-6-4-13(19)5-7-14/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyNWKDRKIQGWRIPJ-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 1472610) is N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(Cc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NWKDRKIQGWRIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-23-15-8-2-12(3-9-15)10-17-21-16(11-24-17)18(22)20-14-6-4-13(19)5-7-14/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1472610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).