ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate

C16H13NO5S — CID 5389034

IUPACethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate
SMILESCCOC(=O)c1oc2cc(O)cc(C)c2c(=O)c1-c1cscn1
InChIInChI=1S/C16H13NO5S/c1-3-21-16(20)15-13(10-6-23-7-17-10)14(19)12-8(2)4-9(18)5-11(12)22-15/h4-7,18H,3H2,1-2H3
InChIKeyKDFUCXCNGUISNZ-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.11
Rot. Bonds3

About ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate

ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate (PubChem CID 5389034) has the molecular formula C16H13NO5S and a molecular weight of 331.35 g/mol. Its IUPAC name is ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate
PubChem CID5389034
Molecular FormulaC16H13NO5S
Molecular Weight331.35 g/mol
Exact Mass331.05
IUPAC Nameethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate
SMILESCCOC(=O)c1oc2cc(O)cc(C)c2c(=O)c1-c1cscn1
InChIInChI=1S/C16H13NO5S/c1-3-21-16(20)15-13(10-6-23-7-17-10)14(19)12-8(2)4-9(18)5-11(12)22-15/h4-7,18H,3H2,1-2H3
InChIKeyKDFUCXCNGUISNZ-UHFFFAOYSA-N
XLogP3.11
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate?
The IUPAC name of ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate (CID 5389034) is ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate is CCOC(=O)c1oc2cc(O)cc(C)c2c(=O)c1-c1cscn1.
What is the InChIKey of ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate?
The InChIKey is KDFUCXCNGUISNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5S/c1-3-21-16(20)15-13(10-6-23-7-17-10)14(19)12-8(2)4-9(18)5-11(12)22-15/h4-7,18H,3H2,1-2H3.
What are the key properties of ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate?
ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate has a molecular weight of 331.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-5-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromene-2-carboxylate is sourced from PubChem (CID 5389034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).