ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate

C14H13NO2S2 — CID 28942113

IUPACethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c(s1)CSc1ccccc1-2
InChIInChI=1S/C14H13NO2S2/c1-2-17-13(16)7-12-15-14-9-5-3-4-6-10(9)18-8-11(14)19-12/h3-6H,2,7-8H2,1H3
InChIKeyUHYACGUNPDYHIA-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.52
Rot. Bonds3

About ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate

ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate (PubChem CID 28942113) has the molecular formula C14H13NO2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate
PubChem CID28942113
Molecular FormulaC14H13NO2S2
Molecular Weight291.40 g/mol
Exact Mass291.04
IUPAC Nameethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c(s1)CSc1ccccc1-2
InChIInChI=1S/C14H13NO2S2/c1-2-17-13(16)7-12-15-14-9-5-3-4-6-10(9)18-8-11(14)19-12/h3-6H,2,7-8H2,1H3
InChIKeyUHYACGUNPDYHIA-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate (CID 28942113) is ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate is CCOC(=O)Cc1nc2c(s1)CSc1ccccc1-2.
What is the InChIKey of ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate?
The InChIKey is UHYACGUNPDYHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S2/c1-2-17-13(16)7-12-15-14-9-5-3-4-6-10(9)18-8-11(14)19-12/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate?
ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate has a molecular weight of 291.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate is sourced from PubChem (CID 28942113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).