N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide

C18H15FN2O3S — CID 1138489

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H15FN2O3S/c1-23-13-7-8-16(24-2)14(9-13)15-10-25-18(20-15)21-17(22)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,21,22)
InChIKeyOSHMKMYQYWGHJY-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.22
Rot. Bonds5

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide (PubChem CID 1138489) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
PubChem CID1138489
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H15FN2O3S/c1-23-13-7-8-16(24-2)14(9-13)15-10-25-18(20-15)21-17(22)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,21,22)
InChIKeyOSHMKMYQYWGHJY-UHFFFAOYSA-N
XLogP4.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide (CID 1138489) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide is COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(F)cc3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The InChIKey is OSHMKMYQYWGHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-23-13-7-8-16(24-2)14(9-13)15-10-25-18(20-15)21-17(22)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide has a molecular weight of 358.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 1138489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).