N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

C17H15FN2OS2 — CID 20995788

IUPACN-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NCc2ccccc2F)s1
InChIInChI=1S/C17H15FN2OS2/c1-11-20-17(14-7-4-8-22-14)15(23-11)9-16(21)19-10-12-5-2-3-6-13(12)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyVCIIZWBXZFSDMH-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.18
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 20995788) has the molecular formula C17H15FN2OS2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID20995788
Molecular FormulaC17H15FN2OS2
Molecular Weight346.45 g/mol
Exact Mass346.06
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NCc2ccccc2F)s1
InChIInChI=1S/C17H15FN2OS2/c1-11-20-17(14-7-4-8-22-14)15(23-11)9-16(21)19-10-12-5-2-3-6-13(12)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyVCIIZWBXZFSDMH-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 20995788) is N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is Cc1nc(-c2cccs2)c(CC(=O)NCc2ccccc2F)s1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is VCIIZWBXZFSDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS2/c1-11-20-17(14-7-4-8-22-14)15(23-11)9-16(21)19-10-12-5-2-3-6-13(12)18/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 20995788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).