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

C16H17NO3S — CID 81140555

IUPACethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c(s1)C(C)(C)Oc1ccccc1-2
InChIInChI=1S/C16H17NO3S/c1-4-19-13(18)9-12-17-14-10-7-5-6-8-11(10)20-16(2,3)15(14)21-12/h5-8H,4,9H2,1-3H3
InChIKeyHFAMNBQVOFZJQG-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.54
Rot. Bonds3

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

ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate (PubChem CID 81140555) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate
PubChem CID81140555
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Nameethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c(s1)C(C)(C)Oc1ccccc1-2
InChIInChI=1S/C16H17NO3S/c1-4-19-13(18)9-12-17-14-10-7-5-6-8-11(10)20-16(2,3)15(14)21-12/h5-8H,4,9H2,1-3H3
InChIKeyHFAMNBQVOFZJQG-UHFFFAOYSA-N
XLogP3.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate (CID 81140555) is ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate is CCOC(=O)Cc1nc2c(s1)C(C)(C)Oc1ccccc1-2.
What is the InChIKey of ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate?
The InChIKey is HFAMNBQVOFZJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-4-19-13(18)9-12-17-14-10-7-5-6-8-11(10)20-16(2,3)15(14)21-12/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate?
ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate has a molecular weight of 303.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate is sourced from PubChem (CID 81140555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).