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

C17H16N2OS2 — CID 8750257

IUPACN-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3ccc(C)s3)cs2)cc1
InChIInChI=1S/C17H16N2OS2/c1-11-3-6-13(7-4-11)18-16(20)9-17-19-14(10-21-17)15-8-5-12(2)22-15/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyCVGJIKXTKLZQMU-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.67
Rot. Bonds4

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

N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 8750257) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID8750257
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3ccc(C)s3)cs2)cc1
InChIInChI=1S/C17H16N2OS2/c1-11-3-6-13(7-4-11)18-16(20)9-17-19-14(10-21-17)15-8-5-12(2)22-15/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyCVGJIKXTKLZQMU-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962858
2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2475630
N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8962875
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 7837960
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
2-(4-acetamidophenyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 42008793
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608
2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 18287994
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide (CID 8750257) is N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(NC(=O)Cc2nc(-c3ccc(C)s3)cs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CVGJIKXTKLZQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-11-3-6-13(7-4-11)18-16(20)9-17-19-14(10-21-17)15-8-5-12(2)22-15/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8750257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).