1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine

C10H12N2S2 — CID 25058

IUPAC1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine
SMILESCN(C)CSc1nc2ccccc2s1
InChIInChI=1S/C10H12N2S2/c1-12(2)7-13-10-11-8-5-3-4-6-9(8)14-10/h3-6H,7H2,1-2H3
InChIKeySLOMIKLOVPVEAX-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.91
Rot. Bonds3

About 1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine

1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine (PubChem CID 25058) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine
PubChem CID25058
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine
SMILESCN(C)CSc1nc2ccccc2s1
InChIInChI=1S/C10H12N2S2/c1-12(2)7-13-10-11-8-5-3-4-6-9(8)14-10/h3-6H,7H2,1-2H3
InChIKeySLOMIKLOVPVEAX-UHFFFAOYSA-N
XLogP2.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Accelerator DM
CID 8447
2-(Thiocyanomethylthio)benzothiazole
CID 30692
Benzothiazole
CID 7222
Accelerator CZ
CID 7232
Sodium 2-mercaptobenzothiazole
CID 3714831
2-(4-Morpholino)thiobenzothiazole
CID 7619
Dithiazanine Iodide
CID 5702697
2-(Methylthio)benzothiazole
CID 11989
N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide
CID 7230
2-Methylbenzothiazole
CID 8446
Benzo(d)thiazol-2-amine
CID 8706
3,3'-Diethylthiacarbocyanine iodide
CID 5709759

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine (CID 25058) is 1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine is CN(C)CSc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine?
The InChIKey is SLOMIKLOVPVEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-12(2)7-13-10-11-8-5-3-4-6-9(8)14-10/h3-6H,7H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine?
1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine has a molecular weight of 224.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 25058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).