2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole

C12H11NO2S — CID 71293079

IUPAC2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole
SMILESc1csc(Oc2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C12H11NO2S/c1-2-9-8-10(3-4-11(9)14-6-1)15-12-13-5-7-16-12/h3-5,7-8H,1-2,6H2
InChIKeyXFZODDHRWKDGLV-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.26
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole

2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole (PubChem CID 71293079) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole
PubChem CID71293079
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole
SMILESc1csc(Oc2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C12H11NO2S/c1-2-9-8-10(3-4-11(9)14-6-1)15-12-13-5-7-16-12/h3-5,7-8H,1-2,6H2
InChIKeyXFZODDHRWKDGLV-UHFFFAOYSA-N
XLogP3.26
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole 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 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole (CID 71293079) is 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole is c1csc(Oc2ccc3c(c2)CCCO3)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole?
The InChIKey is XFZODDHRWKDGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-9-8-10(3-4-11(9)14-6-1)15-12-13-5-7-16-12/h3-5,7-8H,1-2,6H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole?
2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole has a molecular weight of 233.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole is sourced from PubChem (CID 71293079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).