2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole

C5H8ClNS — CID 148824433

IUPAC2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole
SMILESCCC1=CNC(Cl)S1
InChIInChI=1S/C5H8ClNS/c1-2-4-3-7-5(6)8-4/h3,5,7H,2H2,1H3
InChIKeyOSKRPRIEHANWPT-UHFFFAOYSA-N
MW149.65 g/mol
LogP2.10
Rot. Bonds1

About 2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole

2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole (PubChem CID 148824433) has the molecular formula C5H8ClNS and a molecular weight of 149.65 g/mol. Its IUPAC name is 2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole
PubChem CID148824433
Molecular FormulaC5H8ClNS
Molecular Weight149.65 g/mol
Exact Mass149.01
IUPAC Name2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole
SMILESCCC1=CNC(Cl)S1
InChIInChI=1S/C5H8ClNS/c1-2-4-3-7-5(6)8-4/h3,5,7H,2H2,1H3
InChIKeyOSKRPRIEHANWPT-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.65
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole (CID 148824433) is 2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole is CCC1=CNC(Cl)S1.
What is the InChIKey of 2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole?
The InChIKey is OSKRPRIEHANWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNS/c1-2-4-3-7-5(6)8-4/h3,5,7H,2H2,1H3.
What are the key properties of 2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole?
2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole has a molecular weight of 149.65 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 148824433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).