N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

C23H24N2OS3 — CID 27842838

IUPACN-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(C3SCCCS3)c2)cc1
InChIInChI=1S/C23H24N2OS3/c1-15-7-9-17(10-8-15)22-20(29-16(2)24-22)14-21(26)25-19-6-3-5-18(13-19)23-27-11-4-12-28-23/h3,5-10,13,23H,4,11-12,14H2,1-2H3,(H,25,26)
InChIKeyUZMBIABHQSIUAT-UHFFFAOYSA-N
MW440.66 g/mol
LogP6.48
Rot. Bonds5

About N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 27842838) has the molecular formula C23H24N2OS3 and a molecular weight of 440.66 g/mol. Its IUPAC name is N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
PubChem CID27842838
Molecular FormulaC23H24N2OS3
Molecular Weight440.66 g/mol
Exact Mass440.11
IUPAC NameN-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(C3SCCCS3)c2)cc1
InChIInChI=1S/C23H24N2OS3/c1-15-7-9-17(10-8-15)22-20(29-16(2)24-22)14-21(26)25-19-6-3-5-18(13-19)23-27-11-4-12-28-23/h3,5-10,13,23H,4,11-12,14H2,1-2H3,(H,25,26)
InChIKeyUZMBIABHQSIUAT-UHFFFAOYSA-N
XLogP6.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.66
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736483
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(3-nitrophenyl)acetamide
CID 26574704
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 27843051
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833
N-(3-fluoro-4-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26415642
N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27843163
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41357756
N-[4-(methylcarbamoylamino)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 46603407
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 38797742
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 43010055
N-(2-fluoro-5-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26881825

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 27842838) is N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(C3SCCCS3)c2)cc1.
What is the InChIKey of N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is UZMBIABHQSIUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS3/c1-15-7-9-17(10-8-15)22-20(29-16(2)24-22)14-21(26)25-19-6-3-5-18(13-19)23-27-11-4-12-28-23/h3,5-10,13,23H,4,11-12,14H2,1-2H3,(H,25,26).
What are the key properties of N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 440.66 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 27842838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).