N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

C19H19N3O3S2 — CID 55826578

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CSCc3ccccn3)n2)c1
InChIInChI=1S/C19H19N3O3S2/c1-24-14-6-7-17(25-2)15(9-14)16-11-27-19(21-16)22-18(23)12-26-10-13-5-3-4-8-20-13/h3-9,11H,10,12H2,1-2H3,(H,21,22,23)
InChIKeyNLLOBGGFUQUBAF-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.09
Rot. Bonds8

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 55826578) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID55826578
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CSCc3ccccn3)n2)c1
InChIInChI=1S/C19H19N3O3S2/c1-24-14-6-7-17(25-2)15(9-14)16-11-27-19(21-16)22-18(23)12-26-10-13-5-3-4-8-20-13/h3-9,11H,10,12H2,1-2H3,(H,21,22,23)
InChIKeyNLLOBGGFUQUBAF-UHFFFAOYSA-N
XLogP4.09
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
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-methylphenyl)sulfanylacetamide
CID 7254533
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
CID 8873260
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 51128562
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27674807
2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16550690
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8873157
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 26706118
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950691

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 55826578) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is COc1ccc(OC)c(-c2csc(NC(=O)CSCc3ccccn3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is NLLOBGGFUQUBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-24-14-6-7-17(25-2)15(9-14)16-11-27-19(21-16)22-18(23)12-26-10-13-5-3-4-8-20-13/h3-9,11H,10,12H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 55826578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).