N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride

C13H20ClN3OS — CID 120843648

IUPACN'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1nc2ccc(OC)cc2s1.Cl
InChIInChI=1S/C13H19N3OS.ClH/c1-14-6-7-16(2)9-13-15-11-5-4-10(17-3)8-12(11)18-13;/h4-5,8,14H,6-7,9H2,1-3H3;1H
InChIKeyBYPCUTQJHXCBGO-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.38
Rot. Bonds6

About N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride

N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 120843648) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
PubChem CID120843648
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC NameN'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1nc2ccc(OC)cc2s1.Cl
InChIInChI=1S/C13H19N3OS.ClH/c1-14-6-7-16(2)9-13-15-11-5-4-10(17-3)8-12(11)18-13;/h4-5,8,14H,6-7,9H2,1-3H3;1H
InChIKeyBYPCUTQJHXCBGO-UHFFFAOYSA-N
XLogP2.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

6-methoxy-2-(nitrosomethyl)-1,3-benzothiazole
CID 123202651
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
6-methoxy-2-(thiophen-2-ylmethyl)-1,3-benzothiazole
CID 67564031
6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
CID 57312880
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049325
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79512590
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 26645014
2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine
CID 79512407
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8801666
methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoate
CID 60699740
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)propanoate
CID 146663754
5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 138020919

Frequently Asked Questions

What is the IUPAC name of N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (CID 120843648) is N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride is CNCCN(C)Cc1nc2ccc(OC)cc2s1.Cl.
What is the InChIKey of N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is BYPCUTQJHXCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS.ClH/c1-14-6-7-16(2)9-13-15-11-5-4-10(17-3)8-12(11)18-13;/h4-5,8,14H,6-7,9H2,1-3H3;1H.
What are the key properties of N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 301.84 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120843648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).