2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

C15H15Cl2N3O2S — CID 24647201

IUPAC2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NC(C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C15H15Cl2N3O2S/c1-8(19-9(2)21)14(22)20-15-18-7-12(23-15)5-10-3-4-11(16)6-13(10)17/h3-4,6-8H,5H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyVLUFSYXBPZDHMN-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.50
Rot. Bonds5

About 2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 24647201) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is 2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID24647201
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC Name2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NC(C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C15H15Cl2N3O2S/c1-8(19-9(2)21)14(22)20-15-18-7-12(23-15)5-10-3-4-11(16)6-13(10)17/h3-4,6-8H,5H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyVLUFSYXBPZDHMN-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 24647201) is 2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is CC(=O)NC(C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is VLUFSYXBPZDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-8(19-9(2)21)14(22)20-15-18-7-12(23-15)5-10-3-4-11(16)6-13(10)17/h3-4,6-8H,5H2,1-2H3,(H,19,21)(H,18,20,22).
What are the key properties of 2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 372.28 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 24647201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).