ethane;4-methylidene-1,3-thiazole

C6H11NS — CID 90703586

IUPACethane;4-methylidene-1,3-thiazole
SMILESC=C1CSC=N1.CC
InChIInChI=1S/C4H5NS.C2H6/c1-4-2-6-3-5-4;1-2/h3H,1-2H2;1-2H3
InChIKeyAFJPLSKKJXJBOE-UHFFFAOYSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds

About ethane;4-methylidene-1,3-thiazole

ethane;4-methylidene-1,3-thiazole (PubChem CID 90703586) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is ethane;4-methylidene-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-methylidene-1,3-thiazole
PubChem CID90703586
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Nameethane;4-methylidene-1,3-thiazole
SMILESC=C1CSC=N1.CC
InChIInChI=1S/C4H5NS.C2H6/c1-4-2-6-3-5-4;1-2/h3H,1-2H2;1-2H3
InChIKeyAFJPLSKKJXJBOE-UHFFFAOYSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methylidene-1,3-thiazole?
The IUPAC name of ethane;4-methylidene-1,3-thiazole (CID 90703586) is ethane;4-methylidene-1,3-thiazole.
What is the SMILES notation for ethane;4-methylidene-1,3-thiazole?
The canonical SMILES for ethane;4-methylidene-1,3-thiazole is C=C1CSC=N1.CC.
What is the InChIKey of ethane;4-methylidene-1,3-thiazole?
The InChIKey is AFJPLSKKJXJBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS.C2H6/c1-4-2-6-3-5-4;1-2/h3H,1-2H2;1-2H3.
What are the key properties of ethane;4-methylidene-1,3-thiazole?
ethane;4-methylidene-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylidene-1,3-thiazole is sourced from PubChem (CID 90703586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).