2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole

C22H23N7OS — CID 33458433

IUPAC2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cccc(-c2nc(CN3CCN(c4nnnn4-c4ccccc4)CC3)cs2)c1
InChIInChI=1S/C22H23N7OS/c1-30-20-9-5-6-17(14-20)21-23-18(16-31-21)15-27-10-12-28(13-11-27)22-24-25-26-29(22)19-7-3-2-4-8-19/h2-9,14,16H,10-13,15H2,1H3
InChIKeyUKSUPLODCQNCEL-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.12
Rot. Bonds6

About 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 33458433) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID33458433
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cccc(-c2nc(CN3CCN(c4nnnn4-c4ccccc4)CC3)cs2)c1
InChIInChI=1S/C22H23N7OS/c1-30-20-9-5-6-17(14-20)21-23-18(16-31-21)15-27-10-12-28(13-11-27)22-24-25-26-29(22)19-7-3-2-4-8-19/h2-9,14,16H,10-13,15H2,1H3
InChIKeyUKSUPLODCQNCEL-UHFFFAOYSA-N
XLogP3.12
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole 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

4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
CID 8934402
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907156
4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132380
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
[1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 51326235
(3,4-dimethoxyphenyl)-[4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 55543399
4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 90507613
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 146087786
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
(3S,4R)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120760389
(3S,4R)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120760388

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 33458433) is 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole is COc1cccc(-c2nc(CN3CCN(c4nnnn4-c4ccccc4)CC3)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is UKSUPLODCQNCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-30-20-9-5-6-17(14-20)21-23-18(16-31-21)15-27-10-12-28(13-11-27)22-24-25-26-29(22)19-7-3-2-4-8-19/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 433.54 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 33458433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).