4H-thiochromeno[3,4-d][1,2]oxazole

C10H7NOS — CID 55250599

IUPAC4H-thiochromeno[3,4-d][1,2]oxazole
SMILESc1ccc2c(c1)SCc1cnoc1-2
InChIInChI=1S/C10H7NOS/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2
InChIKeyWFUBBGWFNNZXRY-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.95
Rot. Bonds

About 4H-thiochromeno[3,4-d][1,2]oxazole

4H-thiochromeno[3,4-d][1,2]oxazole (PubChem CID 55250599) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 4H-thiochromeno[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name4H-thiochromeno[3,4-d][1,2]oxazole
PubChem CID55250599
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name4H-thiochromeno[3,4-d][1,2]oxazole
SMILESc1ccc2c(c1)SCc1cnoc1-2
InChIInChI=1S/C10H7NOS/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2
InChIKeyWFUBBGWFNNZXRY-UHFFFAOYSA-N
XLogP2.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4H-thiochromeno[3,4-d][1,2]oxazole 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 4H-thiochromeno[3,4-d][1,2]oxazole?
The IUPAC name of 4H-thiochromeno[3,4-d][1,2]oxazole (CID 55250599) is 4H-thiochromeno[3,4-d][1,2]oxazole.
What is the SMILES notation for 4H-thiochromeno[3,4-d][1,2]oxazole?
The canonical SMILES for 4H-thiochromeno[3,4-d][1,2]oxazole is c1ccc2c(c1)SCc1cnoc1-2.
What is the InChIKey of 4H-thiochromeno[3,4-d][1,2]oxazole?
The InChIKey is WFUBBGWFNNZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2.
What are the key properties of 4H-thiochromeno[3,4-d][1,2]oxazole?
4H-thiochromeno[3,4-d][1,2]oxazole has a molecular weight of 189.24 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thiochromeno[3,4-d][1,2]oxazole is sourced from PubChem (CID 55250599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).