(2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone

C9H11NO3S — CID 130571308

IUPAC(2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone
SMILESCOc1nc(C(=O)C2CCOC2)cs1
InChIInChI=1S/C9H11NO3S/c1-12-9-10-7(5-14-9)8(11)6-2-3-13-4-6/h5-6H,2-4H2,1H3
InChIKeyGXFBIEGLAPDBSR-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.37
Rot. Bonds3

About (2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone

(2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone (PubChem CID 130571308) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is (2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone
PubChem CID130571308
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name(2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone
SMILESCOc1nc(C(=O)C2CCOC2)cs1
InChIInChI=1S/C9H11NO3S/c1-12-9-10-7(5-14-9)8(11)6-2-3-13-4-6/h5-6H,2-4H2,1H3
InChIKeyGXFBIEGLAPDBSR-UHFFFAOYSA-N
XLogP1.37
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone 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-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone (CID 130571308) is (2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone is COc1nc(C(=O)C2CCOC2)cs1.
What is the InChIKey of (2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone?
The InChIKey is GXFBIEGLAPDBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-12-9-10-7(5-14-9)8(11)6-2-3-13-4-6/h5-6H,2-4H2,1H3.
What are the key properties of (2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone?
(2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone has a molecular weight of 213.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 130571308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).