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

C22H20N4O3S2 — CID 30805260

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CSc3nc4ccccc4nc3C)n2)c1
InChIInChI=1S/C22H20N4O3S2/c1-13-21(24-17-7-5-4-6-16(17)23-13)30-12-20(27)26-22-25-18(11-31-22)15-10-14(28-2)8-9-19(15)29-3/h4-11H,12H2,1-3H3,(H,25,26,27)
InChIKeyXZLVHUSFUQNMFA-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.81
Rot. Bonds7

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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 30805260) has the molecular formula C22H20N4O3S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID30805260
Molecular FormulaC22H20N4O3S2
Molecular Weight452.56 g/mol
Exact Mass452.10
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CSc3nc4ccccc4nc3C)n2)c1
InChIInChI=1S/C22H20N4O3S2/c1-13-21(24-17-7-5-4-6-16(17)23-13)30-12-20(27)26-22-25-18(11-31-22)15-10-14(28-2)8-9-19(15)29-3/h4-11H,12H2,1-3H3,(H,25,26,27)
InChIKeyXZLVHUSFUQNMFA-UHFFFAOYSA-N
XLogP4.81
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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]-2-(2-methoxyphenyl)acetamide
CID 2531414
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
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-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826578
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
CID 8873260
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 26706118
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-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8873157
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555291

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 30805260) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is COc1ccc(OC)c(-c2csc(NC(=O)CSc3nc4ccccc4nc3C)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is XZLVHUSFUQNMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S2/c1-13-21(24-17-7-5-4-6-16(17)23-13)30-12-20(27)26-22-25-18(11-31-22)15-10-14(28-2)8-9-19(15)29-3/h4-11H,12H2,1-3H3,(H,25,26,27).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 452.56 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 30805260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).