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

C20H20N2O3S2 — CID 18586800

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)c(OC)c1
InChIInChI=1S/C20H20N2O3S2/c1-24-14-6-9-16(18(11-14)25-2)17-12-27-20(21-17)22-19(23)10-13-4-7-15(26-3)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,21,22,23)
InChIKeyBGBNZVNBPWTXPW-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.73
Rot. Bonds7

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

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 18586800) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
PubChem CID18586800
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)c(OC)c1
InChIInChI=1S/C20H20N2O3S2/c1-24-14-6-9-16(18(11-14)25-2)17-12-27-20(21-17)22-19(23)10-13-4-7-15(26-3)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,21,22,23)
InChIKeyBGBNZVNBPWTXPW-UHFFFAOYSA-N
XLogP4.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838788
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 18585641
2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16550690
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55723018
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 24593910
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555291
2-(4-methylsulfanylphenyl)-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 41126327
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide (CID 18586800) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide is COc1ccc(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is BGBNZVNBPWTXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-24-14-6-9-16(18(11-14)25-2)17-12-27-20(21-17)22-19(23)10-13-4-7-15(26-3)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 18586800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).