N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine

C10H16N2S — CID 46784933

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine
SMILESCCNCc1nc2c(s1)CCCC2
InChIInChI=1S/C10H16N2S/c1-2-11-7-10-12-8-5-3-4-6-9(8)13-10/h11H,2-7H2,1H3
InChIKeyPIKPFMFBNNFFQG-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.13
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine (PubChem CID 46784933) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine
PubChem CID46784933
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine
SMILESCCNCc1nc2c(s1)CCCC2
InChIInChI=1S/C10H16N2S/c1-2-11-7-10-12-8-5-3-4-6-9(8)13-10/h11H,2-7H2,1H3
InChIKeyPIKPFMFBNNFFQG-UHFFFAOYSA-N
XLogP2.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine (CID 46784933) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine is CCNCc1nc2c(s1)CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine?
The InChIKey is PIKPFMFBNNFFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-11-7-10-12-8-5-3-4-6-9(8)13-10/h11H,2-7H2,1H3.
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine has a molecular weight of 196.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 46784933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).