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

C10H16N2S — CID 4655534

IUPACN-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
SMILESCNC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C10H16N2S/c1-7(11-2)10-12-8-5-3-4-6-9(8)13-10/h7,11H,3-6H2,1-2H3
InChIKeyDTDJOCPQQDZEDD-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.30
Rot. Bonds2

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

N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 4655534) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
PubChem CID4655534
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
SMILESCNC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C10H16N2S/c1-7(11-2)10-12-8-5-3-4-6-9(8)13-10/h7,11H,3-6H2,1-2H3
InChIKeyDTDJOCPQQDZEDD-UHFFFAOYSA-N
XLogP2.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine (CID 4655534) is N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine is CNC(C)c1nc2c(s1)CCCC2.
What is the InChIKey of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is DTDJOCPQQDZEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(11-2)10-12-8-5-3-4-6-9(8)13-10/h7,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 196.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 4655534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).