N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide

C19H18N2OS2 — CID 32951588

IUPACN-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCSc1ccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C19H18N2OS2/c1-13-4-3-5-15(10-13)20-18(22)11-19-21-17(12-24-19)14-6-8-16(23-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyYKNLPPUWOJOJPJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.02
Rot. Bonds5

About N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide

N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 32951588) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID32951588
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC NameN-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCSc1ccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C19H18N2OS2/c1-13-4-3-5-15(10-13)20-18(22)11-19-21-17(12-24-19)14-6-8-16(23-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyYKNLPPUWOJOJPJ-UHFFFAOYSA-N
XLogP5.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 82154910
N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9343920
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 8964545
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 2213605
N,N-dimethyl-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 47302358
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137
N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 4203345
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 8964637
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 3941579
2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(3-methylphenyl)acetamide
CID 53045281
2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 24603190

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide (CID 32951588) is N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide is CSc1ccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)cc1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YKNLPPUWOJOJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS2/c1-13-4-3-5-15(10-13)20-18(22)11-19-21-17(12-24-19)14-6-8-16(23-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide?
N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 354.50 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 32951588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).