2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole

C8H14N2S — CID 129141127

IUPAC2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCCC1CN(C2=NCCS2)C1
InChIInChI=1S/C8H14N2S/c1-2-7-5-10(6-7)8-9-3-4-11-8/h7H,2-6H2,1H3
InChIKeyGVZGEGTXNXSXIY-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.43
Rot. Bonds1

About 2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole

2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 129141127) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID129141127
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCCC1CN(C2=NCCS2)C1
InChIInChI=1S/C8H14N2S/c1-2-7-5-10(6-7)8-9-3-4-11-8/h7H,2-6H2,1H3
InChIKeyGVZGEGTXNXSXIY-UHFFFAOYSA-N
XLogP1.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Azetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 23225616
2-(3-Methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 59719040
2-(3-Methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 59936374
2-(3-Propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 89432899
2-[3-(2-Methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
CID 123349441
2-(3-Tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 129132956
[1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol
CID 139923614
Ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 143658662
ethyl N-methylazetidine-1-carboximidothioate;propane
CID 144990797
2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine
CID 177262349
ethyl N-methylazetidine-1-carboximidothioate
CID 144990798

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (CID 129141127) is 2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is CCC1CN(C2=NCCS2)C1.
What is the InChIKey of 2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is GVZGEGTXNXSXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-7-5-10(6-7)8-9-3-4-11-8/h7H,2-6H2,1H3.
What are the key properties of 2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 170.28 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 129141127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).