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

C20H19FN2OS — CID 46947945

IUPACN-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(-c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C20H19FN2OS/c1-12-7-8-15(9-13(12)2)18-11-25-20(23-18)19(22-14(3)24)16-5-4-6-17(21)10-16/h4-11,19H,1-3H3,(H,22,24)
InChIKeyZNYAYKTZZJWKSP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.79
Rot. Bonds4

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

N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide (PubChem CID 46947945) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide
PubChem CID46947945
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC NameN-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(-c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C20H19FN2OS/c1-12-7-8-15(9-13(12)2)18-11-25-20(23-18)19(22-14(3)24)16-5-4-6-17(21)10-16/h4-11,19H,1-3H3,(H,22,24)
InChIKeyZNYAYKTZZJWKSP-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide (CID 46947945) is N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide is CC(=O)NC(c1cccc(F)c1)c1nc(-c2ccc(C)c(C)c2)cs1.
What is the InChIKey of N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide?
The InChIKey is ZNYAYKTZZJWKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-12-7-8-15(9-13(12)2)18-11-25-20(23-18)19(22-14(3)24)16-5-4-6-17(21)10-16/h4-11,19H,1-3H3,(H,22,24).
What are the key properties of N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide?
N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 46947945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).