N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C16H26N4S — CID 65348571

IUPACN'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C16H26N4S/c1-12(2)10-20(8-7-19(3)4)11-13-5-6-14-15(9-13)21-16(17)18-14/h5-6,9,12H,7-8,10-11H2,1-4H3,(H2,17,18)
InChIKeyLRZTUGVBNOADQM-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.90
Rot. Bonds7

About N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 65348571) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID65348571
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C16H26N4S/c1-12(2)10-20(8-7-19(3)4)11-13-5-6-14-15(9-13)21-16(17)18-14/h5-6,9,12H,7-8,10-11H2,1-4H3,(H2,17,18)
InChIKeyLRZTUGVBNOADQM-UHFFFAOYSA-N
XLogP2.90
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 65348571) is N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)Cc1ccc2nc(N)sc2c1.
What is the InChIKey of N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is LRZTUGVBNOADQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-12(2)10-20(8-7-19(3)4)11-13-5-6-14-15(9-13)21-16(17)18-14/h5-6,9,12H,7-8,10-11H2,1-4H3,(H2,17,18).
What are the key properties of N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 306.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 65348571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).