3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine

C13H18N2S — CID 169112560

IUPAC3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1CC(c2nc3c(s2)CCC=C3)C1
InChIInChI=1S/C13H18N2S/c1-15(2)10-7-9(8-10)13-14-11-5-3-4-6-12(11)16-13/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeyPYLYHSDBTFIRIG-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.91
Rot. Bonds2

About 3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine

3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine (PubChem CID 169112560) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine
PubChem CID169112560
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1CC(c2nc3c(s2)CCC=C3)C1
InChIInChI=1S/C13H18N2S/c1-15(2)10-7-9(8-10)13-14-11-5-3-4-6-12(11)16-13/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeyPYLYHSDBTFIRIG-UHFFFAOYSA-N
XLogP2.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine (CID 169112560) is 3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine is CN(C)C1CC(c2nc3c(s2)CCC=C3)C1.
What is the InChIKey of 3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine?
The InChIKey is PYLYHSDBTFIRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-15(2)10-7-9(8-10)13-14-11-5-3-4-6-12(11)16-13/h3,5,9-10H,4,6-8H2,1-2H3.
What are the key properties of 3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine?
3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine has a molecular weight of 234.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 169112560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).