N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine

C11H15N3S — CID 62687569

IUPACN'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1nc2ccccc2s1
InChIInChI=1S/C11H15N3S/c1-14(7-6-12)8-11-13-9-4-2-3-5-10(9)15-11/h2-5H,6-8,12H2,1H3
InChIKeyXANFAULZKLLKHZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.69
Rot. Bonds4

About N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine

N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62687569) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62687569
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1nc2ccccc2s1
InChIInChI=1S/C11H15N3S/c1-14(7-6-12)8-11-13-9-4-2-3-5-10(9)15-11/h2-5H,6-8,12H2,1H3
InChIKeyXANFAULZKLLKHZ-UHFFFAOYSA-N
XLogP1.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 81492934
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butan-2-ol
CID 113246457
methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoate
CID 60699740
N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104631221
1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 115452760
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 8802915
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62817497
methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
CID 8803258
2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 18136049
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-prop-2-ynylacetamide
CID 26645461
N-(1,3-benzothiazol-2-yl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-ethylacetamide
CID 17488385

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine (CID 62687569) is N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCN)Cc1nc2ccccc2s1.
What is the InChIKey of N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is XANFAULZKLLKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-14(7-6-12)8-11-13-9-4-2-3-5-10(9)15-11/h2-5H,6-8,12H2,1H3.
What are the key properties of N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine?
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 221.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62687569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).