4,5-dihydro-1,3-thiazole;ethane

C5H11NS — CID 143051369

IUPAC4,5-dihydro-1,3-thiazole;ethane
SMILESC1=NCCS1.CC
InChIInChI=1S/C3H5NS.C2H6/c1-2-5-3-4-1;1-2/h3H,1-2H2;1-2H3
InChIKeyXBMQVNFSSUCUTA-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.79
Rot. Bonds

About 4,5-dihydro-1,3-thiazole;ethane

4,5-dihydro-1,3-thiazole;ethane (PubChem CID 143051369) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazole;ethane.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazole;ethane
PubChem CID143051369
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name4,5-dihydro-1,3-thiazole;ethane
SMILESC1=NCCS1.CC
InChIInChI=1S/C3H5NS.C2H6/c1-2-5-3-4-1;1-2/h3H,1-2H2;1-2H3
InChIKeyXBMQVNFSSUCUTA-UHFFFAOYSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dihydro-1,3-thiazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazole;ethane?
The IUPAC name of 4,5-dihydro-1,3-thiazole;ethane (CID 143051369) is 4,5-dihydro-1,3-thiazole;ethane.
What is the SMILES notation for 4,5-dihydro-1,3-thiazole;ethane?
The canonical SMILES for 4,5-dihydro-1,3-thiazole;ethane is C1=NCCS1.CC.
What is the InChIKey of 4,5-dihydro-1,3-thiazole;ethane?
The InChIKey is XBMQVNFSSUCUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NS.C2H6/c1-2-5-3-4-1;1-2/h3H,1-2H2;1-2H3.
What are the key properties of 4,5-dihydro-1,3-thiazole;ethane?
4,5-dihydro-1,3-thiazole;ethane has a molecular weight of 117.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazole;ethane is sourced from PubChem (CID 143051369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).