N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine

C12H21N3S — CID 66186891

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1csc(C(C)(C)C)n1)C1CNC1
InChIInChI=1S/C12H21N3S/c1-12(2,3)11-14-9(8-16-11)7-15(4)10-5-13-6-10/h8,10,13H,5-7H2,1-4H3
InChIKeyDUEZTWMPLQFJCF-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.84
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine (PubChem CID 66186891) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine
PubChem CID66186891
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1csc(C(C)(C)C)n1)C1CNC1
InChIInChI=1S/C12H21N3S/c1-12(2,3)11-14-9(8-16-11)7-15(4)10-5-13-6-10/h8,10,13H,5-7H2,1-4H3
InChIKeyDUEZTWMPLQFJCF-UHFFFAOYSA-N
XLogP1.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine (CID 66186891) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine is CN(Cc1csc(C(C)(C)C)n1)C1CNC1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine?
The InChIKey is DUEZTWMPLQFJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2,3)11-14-9(8-16-11)7-15(4)10-5-13-6-10/h8,10,13H,5-7H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine has a molecular weight of 239.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 66186891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).