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

C17H15FN2OS2 — CID 50843951

IUPAC2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide
SMILESCc1csc(-c2cc(NC(=O)Cc3cccc(F)c3)c(C)s2)n1
InChIInChI=1S/C17H15FN2OS2/c1-10-9-22-17(19-10)15-8-14(11(2)23-15)20-16(21)7-12-4-3-5-13(18)6-12/h3-6,8-9H,7H2,1-2H3,(H,20,21)
InChIKeyZGSWDOZWZUQOBS-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.81
Rot. Bonds4

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

2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide (PubChem CID 50843951) has the molecular formula C17H15FN2OS2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide
PubChem CID50843951
Molecular FormulaC17H15FN2OS2
Molecular Weight346.45 g/mol
Exact Mass346.06
IUPAC Name2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide
SMILESCc1csc(-c2cc(NC(=O)Cc3cccc(F)c3)c(C)s2)n1
InChIInChI=1S/C17H15FN2OS2/c1-10-9-22-17(19-10)15-8-14(11(2)23-15)20-16(21)7-12-4-3-5-13(18)6-12/h3-6,8-9H,7H2,1-2H3,(H,20,21)
InChIKeyZGSWDOZWZUQOBS-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide (CID 50843951) is 2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide is Cc1csc(-c2cc(NC(=O)Cc3cccc(F)c3)c(C)s2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide?
The InChIKey is ZGSWDOZWZUQOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS2/c1-10-9-22-17(19-10)15-8-14(11(2)23-15)20-16(21)7-12-4-3-5-13(18)6-12/h3-6,8-9H,7H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide?
2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]acetamide is sourced from PubChem (CID 50843951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).