5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole

C10H16N2S — CID 131020524

IUPAC5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole
SMILESCCc1cnc(CN2CC(C)C2)s1
InChIInChI=1S/C10H16N2S/c1-3-9-4-11-10(13-9)7-12-5-8(2)6-12/h4,8H,3,5-7H2,1-2H3
InChIKeyCFVUSEMPMJFUHI-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.16
Rot. Bonds3

About 5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole

5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole (PubChem CID 131020524) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole
PubChem CID131020524
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole
SMILESCCc1cnc(CN2CC(C)C2)s1
InChIInChI=1S/C10H16N2S/c1-3-9-4-11-10(13-9)7-12-5-8(2)6-12/h4,8H,3,5-7H2,1-2H3
InChIKeyCFVUSEMPMJFUHI-UHFFFAOYSA-N
XLogP2.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole (CID 131020524) is 5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole is CCc1cnc(CN2CC(C)C2)s1.
What is the InChIKey of 5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is CFVUSEMPMJFUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-9-4-11-10(13-9)7-12-5-8(2)6-12/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole?
5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 131020524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).