N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide

C21H22N2O3S2 — CID 10364476

IUPACN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
SMILESCOc1ccc(-c2nc(CNC(=O)CSC)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-25-16-8-4-14(5-9-16)20-21(15-6-10-17(26-2)11-7-15)28-19(23-20)12-22-18(24)13-27-3/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyZCBXREFRLNYWFN-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.47
Rot. Bonds8

About N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide

N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide (PubChem CID 10364476) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
PubChem CID10364476
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
SMILESCOc1ccc(-c2nc(CNC(=O)CSC)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-25-16-8-4-14(5-9-16)20-21(15-6-10-17(26-2)11-7-15)28-19(23-20)12-22-18(24)13-27-3/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyZCBXREFRLNYWFN-UHFFFAOYSA-N
XLogP4.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Itazigrel
CID 51087
FR-122047
CID 196841
1-((4,5-Bis(4-methoxyphenyl)-2-thiazoyl)carbonyl)-4-methylpiperazine
CID 196840
2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 9998279
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
1-[[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methylurea
CID 10022853
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
ethyl (E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enoate
CID 10046226
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10069331

Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide (CID 10364476) is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide is COc1ccc(-c2nc(CNC(=O)CSC)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide?
The InChIKey is ZCBXREFRLNYWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-25-16-8-4-14(5-9-16)20-21(15-6-10-17(26-2)11-7-15)28-19(23-20)12-22-18(24)13-27-3/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide?
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide has a molecular weight of 414.55 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 10364476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).