N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide

C20H20N2O3S2 — CID 7254533

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(C)cc3)n2)c1
InChIInChI=1S/C20H20N2O3S2/c1-13-4-7-15(8-5-13)26-12-19(23)22-20-21-17(11-27-20)16-10-14(24-2)6-9-18(16)25-3/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyMFFNFGQZBWOADH-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.87
Rot. Bonds7

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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 7254533) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID7254533
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(C)cc3)n2)c1
InChIInChI=1S/C20H20N2O3S2/c1-13-4-7-15(8-5-13)26-12-19(23)22-20-21-17(11-27-20)16-10-14(24-2)6-9-18(16)25-3/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyMFFNFGQZBWOADH-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]propanamide
CID 861937
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586091
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 30805260
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19712037
2-(2-fluorophenyl)sulfanyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 26723728
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838788
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 23765637
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402812
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide (CID 7254533) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide is COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(C)cc3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is MFFNFGQZBWOADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-13-4-7-15(8-5-13)26-12-19(23)22-20-21-17(11-27-20)16-10-14(24-2)6-9-18(16)25-3/h4-11H,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 400.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 7254533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).