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

C18H15FN2O3S — CID 1160658

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3F)n2)c1
InChIInChI=1S/C18H15FN2O3S/c1-23-11-7-8-16(24-2)13(9-11)15-10-25-18(20-15)21-17(22)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,20,21,22)
InChIKeyACVVEEIPQFZLPO-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.22
Rot. Bonds5

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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 1160658) 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]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID1160658
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3F)n2)c1
InChIInChI=1S/C18H15FN2O3S/c1-23-11-7-8-16(24-2)13(9-11)15-10-25-18(20-15)21-17(22)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,20,21,22)
InChIKeyACVVEEIPQFZLPO-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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Related Compounds

3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675
2-amino-5-(4-fluorophenoxy)-N-(4-methylthiazol-2-yl)benzamide
CID 23067440
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 735048
4-oxo-N-(4-phenylthiazol-2-yl)-4H-chromene-2-carboxamide
CID 746084
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-ethyl-propionamide
CID 861949

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 1160658) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide is COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3F)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is ACVVEEIPQFZLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-23-11-7-8-16(24-2)13(9-11)15-10-25-18(20-15)21-17(22)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-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]-2-fluorobenzamide is sourced from PubChem (CID 1160658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).