(4E,5E)-4,5-di(ethylidene)-1,3-thiazole

C7H9NS — CID 130239694

IUPAC(4E,5E)-4,5-di(ethylidene)-1,3-thiazole
SMILESC/C=c1/ncs/c1=C/C
InChIInChI=1S/C7H9NS/c1-3-6-7(4-2)9-5-8-6/h3-5H,1-2H3/b6-3+,7-4+
InChIKeyWUMKBIZHWFFPAY-XOKGJFMYSA-N
MW139.22 g/mol
LogP0.74
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-1,3-thiazole

(4E,5E)-4,5-di(ethylidene)-1,3-thiazole (PubChem CID 130239694) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1,3-thiazole
PubChem CID130239694
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1,3-thiazole
SMILESC/C=c1/ncs/c1=C/C
InChIInChI=1S/C7H9NS/c1-3-6-7(4-2)9-5-8-6/h3-5H,1-2H3/b6-3+,7-4+
InChIKeyWUMKBIZHWFFPAY-XOKGJFMYSA-N
XLogP0.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1,3-thiazole?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1,3-thiazole (CID 130239694) is (4E,5E)-4,5-di(ethylidene)-1,3-thiazole.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1,3-thiazole?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1,3-thiazole is C/C=c1/ncs/c1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1,3-thiazole?
The InChIKey is WUMKBIZHWFFPAY-XOKGJFMYSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-6-7(4-2)9-5-8-6/h3-5H,1-2H3/b6-3+,7-4+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1,3-thiazole?
(4E,5E)-4,5-di(ethylidene)-1,3-thiazole has a molecular weight of 139.22 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1,3-thiazole is sourced from PubChem (CID 130239694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).