2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole

C15H15N3O2S3 — CID 2530096

IUPAC2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole
SMILESCCOc1ccc(-c2nc(CSc3nncs3)cs2)cc1OC
InChIInChI=1S/C15H15N3O2S3/c1-3-20-12-5-4-10(6-13(12)19-2)14-17-11(7-21-14)8-22-15-18-16-9-23-15/h4-7,9H,3,8H2,1-2H3
InChIKeyWNTRKPHXPVJFCY-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.36
Rot. Bonds7

About 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole

2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 2530096) has the molecular formula C15H15N3O2S3 and a molecular weight of 365.51 g/mol. Its IUPAC name is 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole
PubChem CID2530096
Molecular FormulaC15H15N3O2S3
Molecular Weight365.51 g/mol
Exact Mass365.03
IUPAC Name2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole
SMILESCCOc1ccc(-c2nc(CSc3nncs3)cs2)cc1OC
InChIInChI=1S/C15H15N3O2S3/c1-3-20-12-5-4-10(6-13(12)19-2)14-17-11(7-21-14)8-22-15-18-16-9-23-15/h4-7,9H,3,8H2,1-2H3
InChIKeyWNTRKPHXPVJFCY-UHFFFAOYSA-N
XLogP4.36
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole with MolForge

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Related Compounds

4-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole hydrochloride
CID 16196271
4-(Chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole hydrochloride
CID 16195991
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylthiazole
CID 2742348
2-[[2-(4-Ethoxy-3-methoxyphenyl)-4-thiazolyl]methylthio]-5-methyl-1,3,4-thiadiazole
CID 4875681
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537289
5-[[2-(4-Ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2460529
5-[[2-(4-Ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2474505
4-(3,4-Dimethoxyphenyl)-2-thiophen-2-ylthiazole
CID 2507089
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methyl-thiophene-2-carboxamidine
CID 44363891
4-(3,4-Dimethoxyphenyl)-2-methyl-1,3-thiazole
CID 332398
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-thiazole
CID 2543382
4-(1,3-Benzodioxol-5-yl)-2-methyl-1,3-thiazole
CID 2548441

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole (CID 2530096) is 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole is CCOc1ccc(-c2nc(CSc3nncs3)cs2)cc1OC.
What is the InChIKey of 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is WNTRKPHXPVJFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S3/c1-3-20-12-5-4-10(6-13(12)19-2)14-17-11(7-21-14)8-22-15-18-16-9-23-15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole?
2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 365.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 2530096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).