4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol

C5H9NS2 — CID 3052681

IUPAC4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol
SMILESCCC1=CSC(S)N1
InChIInChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h3,5-7H,2H2,1H3
InChIKeyDTRQWCLMUBJQJN-UHFFFAOYSA-N
MW147.27 g/mol
LogP1.79
Rot. Bonds1

About 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol

4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol (PubChem CID 3052681) has the molecular formula C5H9NS2 and a molecular weight of 147.27 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol.

Molecular Properties

Compound Name4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol
PubChem CID3052681
Molecular FormulaC5H9NS2
Molecular Weight147.27 g/mol
Exact Mass147.02
IUPAC Name4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol
SMILESCCC1=CSC(S)N1
InChIInChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h3,5-7H,2H2,1H3
InChIKeyDTRQWCLMUBJQJN-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol?
The IUPAC name of 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol (CID 3052681) is 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol.
What is the SMILES notation for 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol?
The canonical SMILES for 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol is CCC1=CSC(S)N1.
What is the InChIKey of 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol?
The InChIKey is DTRQWCLMUBJQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h3,5-7H,2H2,1H3.
What are the key properties of 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol?
4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol has a molecular weight of 147.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol is sourced from PubChem (CID 3052681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).