2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole

C5H8ClNS — CID 91863051

IUPAC2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole
SMILESCCC1CSC(Cl)=N1
InChIInChI=1S/C5H8ClNS/c1-2-4-3-8-5(6)7-4/h4H,2-3H2,1H3
InChIKeyBXKDALDJJOHLKK-UHFFFAOYSA-N
MW149.65 g/mol
LogP2.11
Rot. Bonds1

About 2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole

2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole (PubChem CID 91863051) has the molecular formula C5H8ClNS and a molecular weight of 149.65 g/mol. Its IUPAC name is 2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole
PubChem CID91863051
Molecular FormulaC5H8ClNS
Molecular Weight149.65 g/mol
Exact Mass149.01
IUPAC Name2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole
SMILESCCC1CSC(Cl)=N1
InChIInChI=1S/C5H8ClNS/c1-2-4-3-8-5(6)7-4/h4H,2-3H2,1H3
InChIKeyBXKDALDJJOHLKK-UHFFFAOYSA-N
XLogP2.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.65
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole (CID 91863051) is 2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole is CCC1CSC(Cl)=N1.
What is the InChIKey of 2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is BXKDALDJJOHLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNS/c1-2-4-3-8-5(6)7-4/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole?
2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 149.65 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 91863051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).