N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine

C13H17N3S — CID 66181532

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine
SMILESCCN(Cc1nc2ccccc2s1)C1CNC1
InChIInChI=1S/C13H17N3S/c1-2-16(10-7-14-8-10)9-13-15-11-5-3-4-6-12(11)17-13/h3-6,10,14H,2,7-9H2,1H3
InChIKeyDLCUQVALBUQPQB-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.09
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine

N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine (PubChem CID 66181532) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine
PubChem CID66181532
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine
SMILESCCN(Cc1nc2ccccc2s1)C1CNC1
InChIInChI=1S/C13H17N3S/c1-2-16(10-7-14-8-10)9-13-15-11-5-3-4-6-12(11)17-13/h3-6,10,14H,2,7-9H2,1H3
InChIKeyDLCUQVALBUQPQB-UHFFFAOYSA-N
XLogP2.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
CID 66182631
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
N-(1,3-benzothiazol-2-ylmethyl)-N-(2-chloroethyl)cyclohexanamine
CID 104631988
N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431
N-(1,3-benzothiazol-2-ylmethyl)-N-cyclohexylaniline
CID 164665828
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-benzothiazole
CID 66208368
N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine
CID 113420161
2-[1,3-benzothiazol-2-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820956
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569
N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
CID 55389866

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine (CID 66181532) is N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine is CCN(Cc1nc2ccccc2s1)C1CNC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine?
The InChIKey is DLCUQVALBUQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-16(10-7-14-8-10)9-13-15-11-5-3-4-6-12(11)17-13/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine?
N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine has a molecular weight of 247.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine is sourced from PubChem (CID 66181532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).