2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C21H20N6O3S — CID 1169409

IUPAC2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc(-c2nnn(CC(=O)Nc3nc(C)cs3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C21H20N6O3S/c1-14-13-31-21(22-14)23-19(28)11-27-25-20(24-26-27)16-8-9-17(18(10-16)29-2)30-12-15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,28)
InChIKeyCIFUHMAWNYNRTR-UHFFFAOYSA-N
MW436.50 g/mol
LogP3.33
Rot. Bonds8

About 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1169409) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID1169409
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC Name2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc(-c2nnn(CC(=O)Nc3nc(C)cs3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C21H20N6O3S/c1-14-13-31-21(22-14)23-19(28)11-27-25-20(24-26-27)16-8-9-17(18(10-16)29-2)30-12-15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,28)
InChIKeyCIFUHMAWNYNRTR-UHFFFAOYSA-N
XLogP3.33
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-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

3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-phenylmethoxybenzamide
CID 2463682
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]acetamide
CID 1169410
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 3170398
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 38846610
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71830904
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(2-methylphenyl)sulfanylurea
CID 21149856
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164687
(2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate
CID 7123307

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 1169409) is 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1cc(-c2nnn(CC(=O)Nc3nc(C)cs3)n2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CIFUHMAWNYNRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-14-13-31-21(22-14)23-19(28)11-27-25-20(24-26-27)16-8-9-17(18(10-16)29-2)30-12-15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,28).
What are the key properties of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 436.50 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1169409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).