ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate

C13H12ClNO4S2 — CID 84715921

IUPACethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2sc(Cl)c3c2OCCO3)cs1
InChIInChI=1S/C13H12ClNO4S2/c1-2-17-9(16)5-8-15-7(6-20-8)12-10-11(13(14)21-12)19-4-3-18-10/h6H,2-5H2,1H3
InChIKeyCDVOLYUTPDICMS-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.40
Rot. Bonds4

About ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate

ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate (PubChem CID 84715921) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate
PubChem CID84715921
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC Nameethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2sc(Cl)c3c2OCCO3)cs1
InChIInChI=1S/C13H12ClNO4S2/c1-2-17-9(16)5-8-15-7(6-20-8)12-10-11(13(14)21-12)19-4-3-18-10/h6H,2-5H2,1H3
InChIKeyCDVOLYUTPDICMS-UHFFFAOYSA-N
XLogP3.40
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-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-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 16566879
ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate
CID 43120367
4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-methyl-1,3-thiazol-2-amine
CID 84715904
ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate
CID 28839535
ethyl 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetate
CID 16960560
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
ethyl 2-(5-methyl-1,3-benzothiazol-2-yl)acetate
CID 79022075
ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 66223898
ethyl 2-[5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazol-2-yl]acetate
CID 18708667
1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one
CID 158164479
ethyl 2-[5-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetate
CID 18708830
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate (CID 84715921) is ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate is CCOC(=O)Cc1nc(-c2sc(Cl)c3c2OCCO3)cs1.
What is the InChIKey of ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate?
The InChIKey is CDVOLYUTPDICMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c1-2-17-9(16)5-8-15-7(6-20-8)12-10-11(13(14)21-12)19-4-3-18-10/h6H,2-5H2,1H3.
What are the key properties of ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate?
ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate has a molecular weight of 345.83 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-chloro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 84715921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).