4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole

C9H14N2S — CID 130575141

IUPAC4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole
SMILESCCC1(C)CNC1c1cscn1
InChIInChI=1S/C9H14N2S/c1-3-9(2)5-10-8(9)7-4-12-6-11-7/h4,6,8,10H,3,5H2,1-2H3
InChIKeyVQTCZXHMHVHXFH-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.20
Rot. Bonds2

About 4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole

4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole (PubChem CID 130575141) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole
PubChem CID130575141
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole
SMILESCCC1(C)CNC1c1cscn1
InChIInChI=1S/C9H14N2S/c1-3-9(2)5-10-8(9)7-4-12-6-11-7/h4,6,8,10H,3,5H2,1-2H3
InChIKeyVQTCZXHMHVHXFH-UHFFFAOYSA-N
XLogP2.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)butan-1-amine
CID 80491821
N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-4-yl)butan-1-amine
CID 80493250
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)butan-1-amine
CID 80493295
5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)pentan-1-amine
CID 113327159
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine
CID 114224899
5,5,5-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)pentan-1-amine
CID 115517477
N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-amine
CID 115517479
1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 130855797
(2-Fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 130900740
(2-Fluoro-1-methylcyclopropyl)-(1,3-thiazol-4-yl)methanamine
CID 131015152
4-(Pyrrolidin-2-yl)thiazole
CID 19934525
(1S)-1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]pentane-1,5-diamine
CID 58089988

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole?
The IUPAC name of 4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole (CID 130575141) is 4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole is CCC1(C)CNC1c1cscn1.
What is the InChIKey of 4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole?
The InChIKey is VQTCZXHMHVHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-3-9(2)5-10-8(9)7-4-12-6-11-7/h4,6,8,10H,3,5H2,1-2H3.
What are the key properties of 4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole?
4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole has a molecular weight of 182.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole is sourced from PubChem (CID 130575141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).