N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide

C19H19N3O2S2 — CID 2453362

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-13(23)20-15-9-7-14(8-10-15)17-12-26-19(21-17)22-18(24)6-2-4-16-5-3-11-25-16/h3,5,7-12H,2,4,6H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyUPJVKGFXIFKQFV-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.79
Rot. Bonds7

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide (PubChem CID 2453362) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
PubChem CID2453362
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-13(23)20-15-9-7-14(8-10-15)17-12-26-19(21-17)22-18(24)6-2-4-16-5-3-11-25-16/h3,5,7-12H,2,4,6H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyUPJVKGFXIFKQFV-UHFFFAOYSA-N
XLogP4.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide (CID 2453362) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
The InChIKey is UPJVKGFXIFKQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-13(23)20-15-9-7-14(8-10-15)17-12-26-19(21-17)22-18(24)6-2-4-16-5-3-11-25-16/h3,5,7-12H,2,4,6H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide has a molecular weight of 385.51 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2453362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).