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

C20H20N2O2S2 — CID 16900318

IUPACN-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1csc(SCc2ccc(C)cc2)n1
InChIInChI=1S/C20H20N2O2S2/c1-14-7-9-15(10-8-14)12-25-20-21-16(13-26-20)11-19(23)22-17-5-3-4-6-18(17)24-2/h3-10,13H,11-12H2,1-2H3,(H,22,23)
InChIKeyYRQBJRDWFUAHLM-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.93
Rot. Bonds7

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

N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 16900318) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
PubChem CID16900318
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC NameN-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1csc(SCc2ccc(C)cc2)n1
InChIInChI=1S/C20H20N2O2S2/c1-14-7-9-15(10-8-14)12-25-20-21-16(13-26-20)11-19(23)22-17-5-3-4-6-18(17)24-2/h3-10,13H,11-12H2,1-2H3,(H,22,23)
InChIKeyYRQBJRDWFUAHLM-UHFFFAOYSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 16900107
N-(2-ethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900321
N-(2,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16839739
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 16900442
N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900319
2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16900730
2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 16839657
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxy-4-methylphenyl)acetamide
CID 16900611
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
N-(2,5-dimethoxyphenyl)-2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16899746
2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 16899915
N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900302

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide (CID 16900318) is N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide is COc1ccccc1NC(=O)Cc1csc(SCc2ccc(C)cc2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is YRQBJRDWFUAHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-14-7-9-15(10-8-14)12-25-20-21-16(13-26-20)11-19(23)22-17-5-3-4-6-18(17)24-2/h3-10,13H,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 384.53 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16900318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).