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

C17H15FN2OS2 — CID 112846123

IUPACN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
SMILESCc1nc(NC(=O)Cc2ccsc2)sc1Cc1ccccc1F
InChIInChI=1S/C17H15FN2OS2/c1-11-15(9-13-4-2-3-5-14(13)18)23-17(19-11)20-16(21)8-12-6-7-22-10-12/h2-7,10H,8-9H2,1H3,(H,19,20,21)
InChIKeyMSIZFQYCYLOKLZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.42
Rot. Bonds5

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

N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide (PubChem CID 112846123) has the molecular formula C17H15FN2OS2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
PubChem CID112846123
Molecular FormulaC17H15FN2OS2
Molecular Weight346.45 g/mol
Exact Mass346.06
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
SMILESCc1nc(NC(=O)Cc2ccsc2)sc1Cc1ccccc1F
InChIInChI=1S/C17H15FN2OS2/c1-11-15(9-13-4-2-3-5-14(13)18)23-17(19-11)20-16(21)8-12-6-7-22-10-12/h2-7,10H,8-9H2,1H3,(H,19,20,21)
InChIKeyMSIZFQYCYLOKLZ-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120589562
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088329
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide
CID 119297267
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120986644
3-bromo-N-[2-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 55958712
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119937303
3-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119737894
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112846129
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71938657
2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 75392898
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 39189565
4-bromo-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564681

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide (CID 112846123) is N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide is Cc1nc(NC(=O)Cc2ccsc2)sc1Cc1ccccc1F.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide?
The InChIKey is MSIZFQYCYLOKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS2/c1-11-15(9-13-4-2-3-5-14(13)18)23-17(19-11)20-16(21)8-12-6-7-22-10-12/h2-7,10H,8-9H2,1H3,(H,19,20,21).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide?
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide has a molecular weight of 346.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 112846123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).