2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C21H19N3O3S2 — CID 17472481

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)COCc3nc4ccccc4s3)sc2C)cc1
InChIInChI=1S/C21H19N3O3S2/c1-13-20(14-7-9-15(26-2)10-8-14)24-21(28-13)23-18(25)11-27-12-19-22-16-5-3-4-6-17(16)29-19/h3-10H,11-12H2,1-2H3,(H,23,24,25)
InChIKeyKXBQCAFHVLIOLR-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.89
Rot. Bonds7

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 17472481) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID17472481
Molecular FormulaC21H19N3O3S2
Molecular Weight425.54 g/mol
Exact Mass425.09
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)COCc3nc4ccccc4s3)sc2C)cc1
InChIInChI=1S/C21H19N3O3S2/c1-13-20(14-7-9-15(26-2)10-8-14)24-21(28-13)23-18(25)11-27-12-19-22-16-5-3-4-6-17(16)29-19/h3-10H,11-12H2,1-2H3,(H,23,24,25)
InChIKeyKXBQCAFHVLIOLR-UHFFFAOYSA-N
XLogP4.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4855744
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 24641656
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
CID 17373740
(4R)-4-hydroxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-phenylbutanamide
CID 126211741
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 2640794
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
2-(1,3-benzothiazol-2-ylmethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 43012771
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 24648096
3-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 112763459
2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16824336
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24524482

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 17472481) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2nc(NC(=O)COCc3nc4ccccc4s3)sc2C)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is KXBQCAFHVLIOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c1-13-20(14-7-9-15(26-2)10-8-14)24-21(28-13)23-18(25)11-27-12-19-22-16-5-3-4-6-17(16)29-19/h3-10H,11-12H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 425.54 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 17472481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).