ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine

C10H13NS — CID 90874926

IUPACethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine
SMILESC=C1SC=C2C=CC=CN12.CC
InChIInChI=1S/C8H7NS.C2H6/c1-7-9-5-3-2-4-8(9)6-10-7;1-2/h2-6H,1H2;1-2H3
InChIKeyGMQVXDRECNCDMO-UHFFFAOYSA-N
MW179.29 g/mol
LogP3.46
Rot. Bonds

About ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine

ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine (PubChem CID 90874926) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine.

Molecular Properties

Compound Nameethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine
PubChem CID90874926
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Nameethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine
SMILESC=C1SC=C2C=CC=CN12.CC
InChIInChI=1S/C8H7NS.C2H6/c1-7-9-5-3-2-4-8(9)6-10-7;1-2/h2-6H,1H2;1-2H3
InChIKeyGMQVXDRECNCDMO-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine 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 ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine?
The IUPAC name of ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine (CID 90874926) is ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine.
What is the SMILES notation for ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine?
The canonical SMILES for ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine is C=C1SC=C2C=CC=CN12.CC.
What is the InChIKey of ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine?
The InChIKey is GMQVXDRECNCDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.C2H6/c1-7-9-5-3-2-4-8(9)6-10-7;1-2/h2-6H,1H2;1-2H3.
What are the key properties of ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine?
ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine has a molecular weight of 179.29 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-[1,3]thiazolo[3,4-a]pyridine is sourced from PubChem (CID 90874926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).