N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine

C12H15N3S — CID 66182631

IUPACN-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
SMILESCCN(c1nc2ccccc2s1)C1CNC1
InChIInChI=1S/C12H15N3S/c1-2-15(9-7-13-8-9)12-14-10-5-3-4-6-11(10)16-12/h3-6,9,13H,2,7-8H2,1H3
InChIKeyIQLPFOUANCLJMW-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.09
Rot. Bonds3

About N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine

N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine (PubChem CID 66182631) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
PubChem CID66182631
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
SMILESCCN(c1nc2ccccc2s1)C1CNC1
InChIInChI=1S/C12H15N3S/c1-2-15(9-7-13-8-9)12-14-10-5-3-4-6-11(10)16-12/h3-6,9,13H,2,7-8H2,1H3
InChIKeyIQLPFOUANCLJMW-UHFFFAOYSA-N
XLogP2.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine
CID 66181532
N-(azetidin-3-yl)-N-ethyl-1,2,4-benzotriazin-3-amine
CID 103204718
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 71640920
N-(2-chloroethyl)-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 102871700
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
CID 143176372
N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine
CID 174554067
N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 80675483
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489
N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 14576069
2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
CID 60838670
N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
CID 60870636

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine (CID 66182631) is N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine is CCN(c1nc2ccccc2s1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine?
The InChIKey is IQLPFOUANCLJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-15(9-7-13-8-9)12-14-10-5-3-4-6-11(10)16-12/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine?
N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 66182631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).