N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine

C11H14N2S — CID 79146362

IUPACN-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2c(C)cccc2s1
InChIInChI=1S/C11H14N2S/c1-3-12-7-10-13-11-8(2)5-4-6-9(11)14-10/h4-6,12H,3,7H2,1-2H3
InChIKeyAKHMYSIHFPOMDP-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.71
Rot. Bonds3

About N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine

N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine (PubChem CID 79146362) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
PubChem CID79146362
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2c(C)cccc2s1
InChIInChI=1S/C11H14N2S/c1-3-12-7-10-13-11-8(2)5-4-6-9(11)14-10/h4-6,12H,3,7H2,1-2H3
InChIKeyAKHMYSIHFPOMDP-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79257764
2-methoxy-N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79271660
ethane;2-ethyl-4-methyl-1,3-benzothiazole
CID 91212419
N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 79146631
2-(3-chloropropyl)-4-methyl-1,3-benzothiazole
CID 79147271
3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106914
2-propyl-1,3-benzothiazol-4-ol
CID 82190216
2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 103157445
2-[2-(4-methyl-1,3-benzothiazol-2-yl)ethyl]aniline
CID 107273677
N-[(2,8-dimethylquinolin-4-yl)methyl]ethanamine
CID 82447822
4-[1-(4-methyl-1,3-benzothiazol-2-yl)propan-2-yl]aniline
CID 104503124
bis(4-methyl-1,3-benzothiazol-2-yl)diazene
CID 154148255

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine (CID 79146362) is N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine is CCNCc1nc2c(C)cccc2s1.
What is the InChIKey of N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine?
The InChIKey is AKHMYSIHFPOMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-12-7-10-13-11-8(2)5-4-6-9(11)14-10/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine?
N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine has a molecular weight of 206.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79146362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).