1,2-didehydro-4,5-dihydro-3H-1,3-thiazole

C3H5NS — CID 132573248

IUPAC1,2-didehydro-4,5-dihydro-3H-1,3-thiazole
SMILESC1#SCCN1
InChIInChI=1S/C3H5NS/c1-2-5-3-4-1/h4H,1-2H2
InChIKeyMZHKNCWMMNCCOP-UHFFFAOYSA-N
MW87.15 g/mol
LogP0.24
Rot. Bonds

About 1,2-didehydro-4,5-dihydro-3H-1,3-thiazole

1,2-didehydro-4,5-dihydro-3H-1,3-thiazole (PubChem CID 132573248) has the molecular formula C3H5NS and a molecular weight of 87.15 g/mol. Its IUPAC name is 1,2-didehydro-4,5-dihydro-3H-1,3-thiazole.

Molecular Properties

Compound Name1,2-didehydro-4,5-dihydro-3H-1,3-thiazole
PubChem CID132573248
Molecular FormulaC3H5NS
Molecular Weight87.15 g/mol
Exact Mass87.01
IUPAC Name1,2-didehydro-4,5-dihydro-3H-1,3-thiazole
SMILESC1#SCCN1
InChIInChI=1S/C3H5NS/c1-2-5-3-4-1/h4H,1-2H2
InChIKeyMZHKNCWMMNCCOP-UHFFFAOYSA-N
XLogP0.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-didehydro-4,5-dihydro-3H-1,3-thiazole?
The IUPAC name of 1,2-didehydro-4,5-dihydro-3H-1,3-thiazole (CID 132573248) is 1,2-didehydro-4,5-dihydro-3H-1,3-thiazole.
What is the SMILES notation for 1,2-didehydro-4,5-dihydro-3H-1,3-thiazole?
The canonical SMILES for 1,2-didehydro-4,5-dihydro-3H-1,3-thiazole is C1#SCCN1.
What is the InChIKey of 1,2-didehydro-4,5-dihydro-3H-1,3-thiazole?
The InChIKey is MZHKNCWMMNCCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NS/c1-2-5-3-4-1/h4H,1-2H2.
What are the key properties of 1,2-didehydro-4,5-dihydro-3H-1,3-thiazole?
1,2-didehydro-4,5-dihydro-3H-1,3-thiazole has a molecular weight of 87.15 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-didehydro-4,5-dihydro-3H-1,3-thiazole is sourced from PubChem (CID 132573248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).