ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole

C9H18N2S — CID 143658662

IUPACethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC.CC1CN(C2=NCCS2)C1
InChIInChI=1S/C7H12N2S.C2H6/c1-6-4-9(5-6)7-8-2-3-10-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyAWKNMZGPLGELPD-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.07
Rot. Bonds

About ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole

ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 143658662) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID143658662
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Nameethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC.CC1CN(C2=NCCS2)C1
InChIInChI=1S/C7H12N2S.C2H6/c1-6-4-9(5-6)7-8-2-3-10-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyAWKNMZGPLGELPD-UHFFFAOYSA-N
XLogP2.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.07
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
2-(3-Ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 129141127
[1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol
CID 139923614
ethyl N-methylazetidine-1-carboximidothioate;propane
CID 144990797
N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine
CID 12718873
5-methyl-N-[(1-methylazetidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 133675021
ethyl N-methylazetidine-1-carboximidothioate
CID 144990798

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (CID 143658662) is ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is CC.CC1CN(C2=NCCS2)C1.
What is the InChIKey of ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is AWKNMZGPLGELPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.C2H6/c1-6-4-9(5-6)7-8-2-3-10-7;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 186.32 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 143658662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).