1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one

C19H16ClN5O3S — CID 46583665

IUPAC1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one
SMILESCOc1cccc(-c2nc(Cn3nnn(-c4ccccc4Cl)c3=O)cs2)c1OC
InChIInChI=1S/C19H16ClN5O3S/c1-27-16-9-5-6-13(17(16)28-2)18-21-12(11-29-18)10-24-19(26)25(23-22-24)15-8-4-3-7-14(15)20/h3-9,11H,10H2,1-2H3
InChIKeyWFBDDUJUDDAHGN-UHFFFAOYSA-N
MW429.89 g/mol
LogP3.27
Rot. Bonds6

About 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one

1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one (PubChem CID 46583665) has the molecular formula C19H16ClN5O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one
PubChem CID46583665
Molecular FormulaC19H16ClN5O3S
Molecular Weight429.89 g/mol
Exact Mass429.07
IUPAC Name1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one
SMILESCOc1cccc(-c2nc(Cn3nnn(-c4ccccc4Cl)c3=O)cs2)c1OC
InChIInChI=1S/C19H16ClN5O3S/c1-27-16-9-5-6-13(17(16)28-2)18-21-12(11-29-18)10-24-19(26)25(23-22-24)15-8-4-3-7-14(15)20/h3-9,11H,10H2,1-2H3
InChIKeyWFBDDUJUDDAHGN-UHFFFAOYSA-N
XLogP3.27
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one 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-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
2-(2,3-dimethoxyphenyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 112801377
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
CID 8598527
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 40507450
2-(2,3-dimethoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 30835362
4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 7431881
8-bromo-9-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 30807919
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170
4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 26763485
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 55306942
1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 119918228

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one (CID 46583665) is 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one is COc1cccc(-c2nc(Cn3nnn(-c4ccccc4Cl)c3=O)cs2)c1OC.
What is the InChIKey of 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one?
The InChIKey is WFBDDUJUDDAHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3S/c1-27-16-9-5-6-13(17(16)28-2)18-21-12(11-29-18)10-24-19(26)25(23-22-24)15-8-4-3-7-14(15)20/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one?
1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one has a molecular weight of 429.89 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one is sourced from PubChem (CID 46583665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).