2-chloro-4,5-di(ethylidene)-1,3-thiazole

C7H8ClNS — CID 123872211

IUPAC2-chloro-4,5-di(ethylidene)-1,3-thiazole
SMILESCC=c1nc(Cl)sc1=CC
InChIInChI=1S/C7H8ClNS/c1-3-5-6(4-2)10-7(8)9-5/h3-4H,1-2H3
InChIKeyJYRKHZRACLDLFH-UHFFFAOYSA-N
MW173.67 g/mol
LogP1.40
Rot. Bonds

About 2-chloro-4,5-di(ethylidene)-1,3-thiazole

2-chloro-4,5-di(ethylidene)-1,3-thiazole (PubChem CID 123872211) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is 2-chloro-4,5-di(ethylidene)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4,5-di(ethylidene)-1,3-thiazole
PubChem CID123872211
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name2-chloro-4,5-di(ethylidene)-1,3-thiazole
SMILESCC=c1nc(Cl)sc1=CC
InChIInChI=1S/C7H8ClNS/c1-3-5-6(4-2)10-7(8)9-5/h3-4H,1-2H3
InChIKeyJYRKHZRACLDLFH-UHFFFAOYSA-N
XLogP1.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-[(E)-2-chlorobut-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole
CID 89277027
4,5-Di(ethylidene)-1,3-thiazole
CID 90767189
(4E,5E)-4,5-di(ethylidene)-1,3-thiazole
CID 130239694
(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazole
CID 132261720
(4E,5E)-4,5-di(ethylidene)-1,3-thiazole;ethane
CID 144001814
(5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole
CID 142811931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-di(ethylidene)-1,3-thiazole?
The IUPAC name of 2-chloro-4,5-di(ethylidene)-1,3-thiazole (CID 123872211) is 2-chloro-4,5-di(ethylidene)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4,5-di(ethylidene)-1,3-thiazole?
The canonical SMILES for 2-chloro-4,5-di(ethylidene)-1,3-thiazole is CC=c1nc(Cl)sc1=CC.
What is the InChIKey of 2-chloro-4,5-di(ethylidene)-1,3-thiazole?
The InChIKey is JYRKHZRACLDLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c1-3-5-6(4-2)10-7(8)9-5/h3-4H,1-2H3.
What are the key properties of 2-chloro-4,5-di(ethylidene)-1,3-thiazole?
2-chloro-4,5-di(ethylidene)-1,3-thiazole has a molecular weight of 173.67 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-di(ethylidene)-1,3-thiazole is sourced from PubChem (CID 123872211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).