N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine

C9H12N2S — CID 146243816

IUPACN,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine
SMILESCN(C)C1Nc2ccccc2S1
InChIInChI=1S/C9H12N2S/c1-11(2)9-10-7-5-3-4-6-8(7)12-9/h3-6,9-10H,1-2H3
InChIKeyOFPQGKOGKGIVFX-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.05
Rot. Bonds1

About N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine

N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine (PubChem CID 146243816) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine
PubChem CID146243816
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC NameN,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine
SMILESCN(C)C1Nc2ccccc2S1
InChIInChI=1S/C9H12N2S/c1-11(2)9-10-7-5-3-4-6-8(7)12-9/h3-6,9-10H,1-2H3
InChIKeyOFPQGKOGKGIVFX-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
ethane;2-methyl-2,3-dihydro-1,3-benzothiazole
CID 145235335
ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole
CID 142049429
2-(2,3-dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazole;ethane
CID 91078039
(2R)-2-phenyl-2,3-dihydro-1,3-benzothiazole
CID 92935373
2-methyl-4H-1,4-benzothiazine-3-thione
CID 84614586
bis(2,3-dihydro-1,3-benzothiazol-2-yl)methanethione
CID 175478062
1-(2,3-dihydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-one
CID 140594652
4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline
CID 4168985
(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole
CID 6928885
2,3-bis(ethenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 143790413
N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine
CID 145308863

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine?
The IUPAC name of N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine (CID 146243816) is N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine is CN(C)C1Nc2ccccc2S1.
What is the InChIKey of N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine?
The InChIKey is OFPQGKOGKGIVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-11(2)9-10-7-5-3-4-6-8(7)12-9/h3-6,9-10H,1-2H3.
What are the key properties of N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine?
N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine has a molecular weight of 180.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 146243816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).