7-ethyl-N-methyl-1,3-benzothiazol-2-amine

C10H12N2S — CID 163988117

IUPAC7-ethyl-N-methyl-1,3-benzothiazol-2-amine
SMILESCCc1cccc2nc(NC)sc12
InChIInChI=1S/C10H12N2S/c1-3-7-5-4-6-8-9(7)13-10(11-2)12-8/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyTYDRYANFTNIZPF-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.90
Rot. Bonds2

About 7-ethyl-N-methyl-1,3-benzothiazol-2-amine

7-ethyl-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 163988117) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 7-ethyl-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-ethyl-N-methyl-1,3-benzothiazol-2-amine
PubChem CID163988117
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name7-ethyl-N-methyl-1,3-benzothiazol-2-amine
SMILESCCc1cccc2nc(NC)sc12
InChIInChI=1S/C10H12N2S/c1-3-7-5-4-6-8-9(7)13-10(11-2)12-8/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyTYDRYANFTNIZPF-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-N-methyl-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 7-ethyl-N-methyl-1,3-benzothiazol-2-amine (CID 163988117) is 7-ethyl-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-ethyl-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-ethyl-N-methyl-1,3-benzothiazol-2-amine is CCc1cccc2nc(NC)sc12.
What is the InChIKey of 7-ethyl-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is TYDRYANFTNIZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-3-7-5-4-6-8-9(7)13-10(11-2)12-8/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 7-ethyl-N-methyl-1,3-benzothiazol-2-amine?
7-ethyl-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 192.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 163988117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).