N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide

C22H23N3O2S — CID 9421199

IUPACN-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(-c3ccc(C(C)C)cc3)n2)c(NC(C)=O)c1
InChIInChI=1S/C22H23N3O2S/c1-13(2)16-5-7-17(8-6-16)22-25-21(12-28-22)19-10-9-18(23-14(3)26)11-20(19)24-15(4)27/h5-13H,1-4H3,(H,23,26)(H,24,27)
InChIKeyUWUYMPALEBBOTM-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.52
Rot. Bonds5

About N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 9421199) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID9421199
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(-c3ccc(C(C)C)cc3)n2)c(NC(C)=O)c1
InChIInChI=1S/C22H23N3O2S/c1-13(2)16-5-7-17(8-6-16)22-25-21(12-28-22)19-10-9-18(23-14(3)26)11-20(19)24-15(4)27/h5-13H,1-4H3,(H,23,26)(H,24,27)
InChIKeyUWUYMPALEBBOTM-UHFFFAOYSA-N
XLogP5.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 135569925
N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9420795
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108751483
2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
CID 63447079
N-[3-fluoro-4-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356448
N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 47061841
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
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-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 9421199) is N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(-c3ccc(C(C)C)cc3)n2)c(NC(C)=O)c1.
What is the InChIKey of N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is UWUYMPALEBBOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-13(2)16-5-7-17(8-6-16)22-25-21(12-28-22)19-10-9-18(23-14(3)26)11-20(19)24-15(4)27/h5-13H,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 9421199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).