2-ethylidene-5H-1,3-thiazole

C5H7NS — CID 54049909

IUPAC2-ethylidene-5H-1,3-thiazole
SMILESCC=C1N=CCS1
InChIInChI=1S/C5H7NS/c1-2-5-6-3-4-7-5/h2-3H,4H2,1H3
InChIKeyDAMUUYLYVIBFBX-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.67
Rot. Bonds

About 2-ethylidene-5H-1,3-thiazole

2-ethylidene-5H-1,3-thiazole (PubChem CID 54049909) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 2-ethylidene-5H-1,3-thiazole.

Molecular Properties

Compound Name2-ethylidene-5H-1,3-thiazole
PubChem CID54049909
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name2-ethylidene-5H-1,3-thiazole
SMILESCC=C1N=CCS1
InChIInChI=1S/C5H7NS/c1-2-5-6-3-4-7-5/h2-3H,4H2,1H3
InChIKeyDAMUUYLYVIBFBX-UHFFFAOYSA-N
XLogP1.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-5H-1,3-thiazole?
The IUPAC name of 2-ethylidene-5H-1,3-thiazole (CID 54049909) is 2-ethylidene-5H-1,3-thiazole.
What is the SMILES notation for 2-ethylidene-5H-1,3-thiazole?
The canonical SMILES for 2-ethylidene-5H-1,3-thiazole is CC=C1N=CCS1.
What is the InChIKey of 2-ethylidene-5H-1,3-thiazole?
The InChIKey is DAMUUYLYVIBFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-2-5-6-3-4-7-5/h2-3H,4H2,1H3.
What are the key properties of 2-ethylidene-5H-1,3-thiazole?
2-ethylidene-5H-1,3-thiazole has a molecular weight of 113.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-5H-1,3-thiazole is sourced from PubChem (CID 54049909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).