N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide

C19H17FN2O3S — CID 2124953

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)cc1OC
InChIInChI=1S/C19H17FN2O3S/c1-24-16-8-7-13(9-17(16)25-2)15-11-26-19(21-15)22-18(23)10-12-5-3-4-6-14(12)20/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeySFNDUZMLZKSTGA-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.15
Rot. Bonds6

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 2124953) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
PubChem CID2124953
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)cc1OC
InChIInChI=1S/C19H17FN2O3S/c1-24-16-8-7-13(9-17(16)25-2)15-11-26-19(21-15)22-18(23)10-12-5-3-4-6-14(12)20/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeySFNDUZMLZKSTGA-UHFFFAOYSA-N
XLogP4.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide (CID 2124953) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide is COc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is SFNDUZMLZKSTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-24-16-8-7-13(9-17(16)25-2)15-11-26-19(21-15)22-18(23)10-12-5-3-4-6-14(12)20/h3-9,11H,10H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 372.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2124953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).