1-(1,3-benzothiazol-2-yl)-N-methylethanamine

C10H12N2S — CID 4962438

IUPAC1-(1,3-benzothiazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc2ccccc2s1
InChIInChI=1S/C10H12N2S/c1-7(11-2)10-12-8-5-3-4-6-9(8)13-10/h3-7,11H,1-2H3
InChIKeyDHWUMSIEDZZPHJ-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.58
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-N-methylethanamine

1-(1,3-benzothiazol-2-yl)-N-methylethanamine (PubChem CID 4962438) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-methylethanamine
PubChem CID4962438
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc2ccccc2s1
InChIInChI=1S/C10H12N2S/c1-7(11-2)10-12-8-5-3-4-6-9(8)13-10/h3-7,11H,1-2H3
InChIKeyDHWUMSIEDZZPHJ-UHFFFAOYSA-N
XLogP2.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-methylethanamine (CID 4962438) is 1-(1,3-benzothiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-methylethanamine is CNC(C)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-methylethanamine?
The InChIKey is DHWUMSIEDZZPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7(11-2)10-12-8-5-3-4-6-9(8)13-10/h3-7,11H,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-methylethanamine?
1-(1,3-benzothiazol-2-yl)-N-methylethanamine has a molecular weight of 192.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 4962438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).