ethane;7-methyl-1,3-benzothiazol-2-amine

C10H14N2S — CID 145229786

IUPACethane;7-methyl-1,3-benzothiazol-2-amine
SMILESCC.Cc1cccc2nc(N)sc12
InChIInChI=1S/C8H8N2S.C2H6/c1-5-3-2-4-6-7(5)11-8(9)10-6;1-2/h2-4H,1H3,(H2,9,10);1-2H3
InChIKeyJWHNYMPGZSXICX-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.21
Rot. Bonds

About ethane;7-methyl-1,3-benzothiazol-2-amine

ethane;7-methyl-1,3-benzothiazol-2-amine (PubChem CID 145229786) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is ethane;7-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Nameethane;7-methyl-1,3-benzothiazol-2-amine
PubChem CID145229786
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Nameethane;7-methyl-1,3-benzothiazol-2-amine
SMILESCC.Cc1cccc2nc(N)sc12
InChIInChI=1S/C8H8N2S.C2H6/c1-5-3-2-4-6-7(5)11-8(9)10-6;1-2/h2-4H,1H3,(H2,9,10);1-2H3
InChIKeyJWHNYMPGZSXICX-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;7-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

Related Compounds

ethane;7-propan-2-yl-1,3-benzothiazol-2-amine
CID 167552566
5,7-dimethyl-1,3-benzothiazol-2-amine
CID 2049896
2-methyl-1-N-(7-methyl-1,3-benzothiazol-2-yl)propane-1,2-diamine
CID 120665841
1-(7-methyl-1,3-benzothiazol-2-yl)ethanone
CID 166471634
5-bromo-7-methyl-1,3-benzothiazol-2-amine
CID 89313345
ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 170572306
ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 170624259
4,6-dimethyldibenzothiophene
CID 161055331
2-amino-4-methyl-1,3-benzothiazol-7-ol
CID 171560062
1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
CID 161214850
7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 15050569
4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 42281874

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of ethane;7-methyl-1,3-benzothiazol-2-amine (CID 145229786) is ethane;7-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for ethane;7-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for ethane;7-methyl-1,3-benzothiazol-2-amine is CC.Cc1cccc2nc(N)sc12.
What is the InChIKey of ethane;7-methyl-1,3-benzothiazol-2-amine?
The InChIKey is JWHNYMPGZSXICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.C2H6/c1-5-3-2-4-6-7(5)11-8(9)10-6;1-2/h2-4H,1H3,(H2,9,10);1-2H3.
What are the key properties of ethane;7-methyl-1,3-benzothiazol-2-amine?
ethane;7-methyl-1,3-benzothiazol-2-amine has a molecular weight of 194.30 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 145229786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).