ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate

C18H20N6O3S2 — CID 3195168

IUPACethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C18H20N6O3S2/c1-4-27-16(26)8-13-9-28-17(19-13)20-15(25)10-29-18-21-22-23-24(18)14-6-5-11(2)12(3)7-14/h5-7,9H,4,8,10H2,1-3H3,(H,19,20,25)
InChIKeyFOSWYHPWMYHFEX-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.57
Rot. Bonds8

About ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 3195168) has the molecular formula C18H20N6O3S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID3195168
Molecular FormulaC18H20N6O3S2
Molecular Weight432.53 g/mol
Exact Mass432.10
IUPAC Nameethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C18H20N6O3S2/c1-4-27-16(26)8-13-9-28-17(19-13)20-15(25)10-29-18-21-22-23-24(18)14-6-5-11(2)12(3)7-14/h5-7,9H,4,8,10H2,1-3H3,(H,19,20,25)
InChIKeyFOSWYHPWMYHFEX-UHFFFAOYSA-N
XLogP2.57
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate 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

Ethyl 2-{2-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
(2-{2-[1-(4-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazol-4-yl)-acetic acid ethyl ester
CID 645205
2-{2-[1-(2,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 647192
2-{2-[1-(2,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-4-methyl-thiazole-5-carboxylic acid methyl ester
CID 656243
2-{2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 648502
(2-{2-[1-(4-Ethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazol-4-yl)-acetic acid ethyl ester
CID 649753
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[4-(4-fluoro-phenyl)-thiazol-2-yl]-acetamide
CID 1449718
2-[2-[[2-[[1-(2,4-Dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester
CID 3195163
Ethyl {2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}(phenylhydrazono)acetate
CID 5337641
Ethyl 2-(2-(2-(2-((4-fluorophenyl)amino)thiazol-4-yl)acetamido)thiazol-4-yl)acetate
CID 30859991
Ethyl {2-[({[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}acetyl)amino]-1,3-thiazol-4-yl}acetate
CID 2979600
ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate
CID 5715263

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate (CID 3195168) is ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)n1.
What is the InChIKey of ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FOSWYHPWMYHFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S2/c1-4-27-16(26)8-13-9-28-17(19-13)20-15(25)10-29-18-21-22-23-24(18)14-6-5-11(2)12(3)7-14/h5-7,9H,4,8,10H2,1-3H3,(H,19,20,25).
What are the key properties of ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 432.53 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3195168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).