4,5-dimethylidene-1,3-thiazole

C5H5NS — CID 15528583

IUPAC4,5-dimethylidene-1,3-thiazole
SMILESC=c1ncsc1=C
InChIInChI=1S/C5H5NS/c1-4-5(2)7-3-6-4/h3H,1-2H2
InChIKeyGOEKFDKHGJGHHJ-UHFFFAOYSA-N
MW111.17 g/mol
LogP-0.04
Rot. Bonds

About 4,5-dimethylidene-1,3-thiazole

4,5-dimethylidene-1,3-thiazole (PubChem CID 15528583) has the molecular formula C5H5NS and a molecular weight of 111.17 g/mol. Its IUPAC name is 4,5-dimethylidene-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethylidene-1,3-thiazole
PubChem CID15528583
Molecular FormulaC5H5NS
Molecular Weight111.17 g/mol
Exact Mass111.01
IUPAC Name4,5-dimethylidene-1,3-thiazole
SMILESC=c1ncsc1=C
InChIInChI=1S/C5H5NS/c1-4-5(2)7-3-6-4/h3H,1-2H2
InChIKeyGOEKFDKHGJGHHJ-UHFFFAOYSA-N
XLogP-0.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylidene-1,3-thiazole?
The IUPAC name of 4,5-dimethylidene-1,3-thiazole (CID 15528583) is 4,5-dimethylidene-1,3-thiazole.
What is the SMILES notation for 4,5-dimethylidene-1,3-thiazole?
The canonical SMILES for 4,5-dimethylidene-1,3-thiazole is C=c1ncsc1=C.
What is the InChIKey of 4,5-dimethylidene-1,3-thiazole?
The InChIKey is GOEKFDKHGJGHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS/c1-4-5(2)7-3-6-4/h3H,1-2H2.
What are the key properties of 4,5-dimethylidene-1,3-thiazole?
4,5-dimethylidene-1,3-thiazole has a molecular weight of 111.17 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidene-1,3-thiazole is sourced from PubChem (CID 15528583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).