N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine

C18H18N4S2 — CID 23656211

IUPACN,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)c1nc2ccccc2s1)c1nc2ccccc2s1
InChIInChI=1S/C18H18N4S2/c1-21(17-19-13-7-3-5-9-15(13)23-17)11-12-22(2)18-20-14-8-4-6-10-16(14)24-18/h3-10H,11-12H2,1-2H3
InChIKeyLYZBPIIKNUGENU-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.48
Rot. Bonds5

About N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine

N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 23656211) has the molecular formula C18H18N4S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID23656211
Molecular FormulaC18H18N4S2
Molecular Weight354.50 g/mol
Exact Mass354.10
IUPAC NameN,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)c1nc2ccccc2s1)c1nc2ccccc2s1
InChIInChI=1S/C18H18N4S2/c1-21(17-19-13-7-3-5-9-15(13)23-17)11-12-22(2)18-20-14-8-4-6-10-16(14)24-18/h3-10H,11-12H2,1-2H3
InChIKeyLYZBPIIKNUGENU-UHFFFAOYSA-N
XLogP4.48
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine (CID 23656211) is N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)c1nc2ccccc2s1)c1nc2ccccc2s1.
What is the InChIKey of N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is LYZBPIIKNUGENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S2/c1-21(17-19-13-7-3-5-9-15(13)23-17)11-12-22(2)18-20-14-8-4-6-10-16(14)24-18/h3-10H,11-12H2,1-2H3.
What are the key properties of N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine?
N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 354.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 23656211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).