N,N-dimethyl-1,3-benzothiazol-5-amine

C9H10N2S — CID 22609017

IUPACN,N-dimethyl-1,3-benzothiazol-5-amine
SMILESCN(C)c1ccc2scnc2c1
InChIInChI=1S/C9H10N2S/c1-11(2)7-3-4-9-8(5-7)10-6-12-9/h3-6H,1-2H3
InChIKeyHFHNEMSPSVNGIS-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.36
Rot. Bonds1

About N,N-dimethyl-1,3-benzothiazol-5-amine

N,N-dimethyl-1,3-benzothiazol-5-amine (PubChem CID 22609017) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N,N-dimethyl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,3-benzothiazol-5-amine
PubChem CID22609017
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC NameN,N-dimethyl-1,3-benzothiazol-5-amine
SMILESCN(C)c1ccc2scnc2c1
InChIInChI=1S/C9H10N2S/c1-11(2)7-3-4-9-8(5-7)10-6-12-9/h3-6H,1-2H3
InChIKeyHFHNEMSPSVNGIS-UHFFFAOYSA-N
XLogP2.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzothiazol-5-yldiazenyl)-N,N-dimethylaniline
CID 29081
azane;5-methyl-1,3-benzothiazole
CID 174920703
5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine
CID 59282921
1,3-benzothiazol-5-ol
CID 3596506
1,3-benzothiazole-5-thiol
CID 14944486
ethane;5-propan-2-yl-1,3-benzothiazole
CID 144711218
1-(1,3-benzothiazol-5-yl)ethanol
CID 45077207
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
CID 103936344
5-pentan-3-yl-1,3-benzothiazole
CID 142928032
N,N-diethyl-1,3-benzothiazol-6-amine
CID 12675901
1,3-benzothiazole-5-carbonitrile
CID 10702104
5-(difluoromethyl)-1,3-benzothiazole
CID 84660003

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,3-benzothiazol-5-amine?
The IUPAC name of N,N-dimethyl-1,3-benzothiazol-5-amine (CID 22609017) is N,N-dimethyl-1,3-benzothiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-1,3-benzothiazol-5-amine?
The canonical SMILES for N,N-dimethyl-1,3-benzothiazol-5-amine is CN(C)c1ccc2scnc2c1.
What is the InChIKey of N,N-dimethyl-1,3-benzothiazol-5-amine?
The InChIKey is HFHNEMSPSVNGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-11(2)7-3-4-9-8(5-7)10-6-12-9/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-1,3-benzothiazol-5-amine?
N,N-dimethyl-1,3-benzothiazol-5-amine has a molecular weight of 178.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 22609017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).