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

C22H21N3O3S — CID 26706118

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)Cn3c(C)cc4ccccc43)n2)c1
InChIInChI=1S/C22H21N3O3S/c1-14-10-15-6-4-5-7-19(15)25(14)12-21(26)24-22-23-18(13-29-22)17-11-16(27-2)8-9-20(17)28-3/h4-11,13H,12H2,1-3H3,(H,23,24,26)
InChIKeyPEKNYKPULKGGRT-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.73
Rot. Bonds6

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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide (PubChem CID 26706118) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide
PubChem CID26706118
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)Cn3c(C)cc4ccccc43)n2)c1
InChIInChI=1S/C22H21N3O3S/c1-14-10-15-6-4-5-7-19(15)25(14)12-21(26)24-22-23-18(13-29-22)17-11-16(27-2)8-9-20(17)28-3/h4-11,13H,12H2,1-3H3,(H,23,24,26)
InChIKeyPEKNYKPULKGGRT-UHFFFAOYSA-N
XLogP4.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
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-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8873157
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
2-(2-methylindol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4050178
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide
CID 134051470
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-(tetrazol-1-yl)acetamide
CID 8873123
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]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46972105
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
2-(2-methylindol-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 43036916

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide (CID 26706118) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide is COc1ccc(OC)c(-c2csc(NC(=O)Cn3c(C)cc4ccccc43)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide?
The InChIKey is PEKNYKPULKGGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-14-10-15-6-4-5-7-19(15)25(14)12-21(26)24-22-23-18(13-29-22)17-11-16(27-2)8-9-20(17)28-3/h4-11,13H,12H2,1-3H3,(H,23,24,26).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide has a molecular weight of 407.50 g/mol, XLogP of 4.73, 6 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-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 26706118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).