N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide

C20H19N3O2S — CID 122159689

IUPACN-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(-c3cccc(NC(C)=O)c3)n2)cc1
InChIInChI=1S/C20H19N3O2S/c1-3-19(25)22-16-9-7-14(8-10-16)18-12-26-20(23-18)15-5-4-6-17(11-15)21-13(2)24/h4-12H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyTWGPVDJFGTWLOD-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.78
Rot. Bonds5

About N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide

N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 122159689) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID122159689
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(-c3cccc(NC(C)=O)c3)n2)cc1
InChIInChI=1S/C20H19N3O2S/c1-3-19(25)22-16-9-7-14(8-10-16)18-12-26-20(23-18)15-5-4-6-17(11-15)21-13(2)24/h4-12H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyTWGPVDJFGTWLOD-UHFFFAOYSA-N
XLogP4.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9173882
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356398
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110423823
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide
CID 110342259
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173860

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide (CID 122159689) is N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2csc(-c3cccc(NC(C)=O)c3)n2)cc1.
What is the InChIKey of N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is TWGPVDJFGTWLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-19(25)22-16-9-7-14(8-10-16)18-12-26-20(23-18)15-5-4-6-17(11-15)21-13(2)24/h4-12H,3H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 365.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 122159689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).