ethane;2-ethyl-4-methyl-1,3-benzothiazole

C12H17NS — CID 91212419

IUPACethane;2-ethyl-4-methyl-1,3-benzothiazole
SMILESCC.CCc1nc2c(C)cccc2s1
InChIInChI=1S/C10H11NS.C2H6/c1-3-9-11-10-7(2)5-4-6-8(10)12-9;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyAGNHJYZNOKUUPH-UHFFFAOYSA-N
MW207.34 g/mol
LogP4.19
Rot. Bonds1

About ethane;2-ethyl-4-methyl-1,3-benzothiazole

ethane;2-ethyl-4-methyl-1,3-benzothiazole (PubChem CID 91212419) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is ethane;2-ethyl-4-methyl-1,3-benzothiazole.

Molecular Properties

Compound Nameethane;2-ethyl-4-methyl-1,3-benzothiazole
PubChem CID91212419
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Nameethane;2-ethyl-4-methyl-1,3-benzothiazole
SMILESCC.CCc1nc2c(C)cccc2s1
InChIInChI=1S/C10H11NS.C2H6/c1-3-9-11-10-7(2)5-4-6-8(10)12-9;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyAGNHJYZNOKUUPH-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-ethyl-4-methyl-1,3-benzothiazole 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

N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79146362
3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106914
2-(3-chloropropyl)-4-methyl-1,3-benzothiazole
CID 79147271
N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 79146631
2-[2-(4-methyl-1,3-benzothiazol-2-yl)ethyl]aniline
CID 107273677
2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 103157445
2,2,2-trifluoro-N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79257764
2-methoxy-N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79271660
4-[1-(4-methyl-1,3-benzothiazol-2-yl)propan-2-yl]aniline
CID 104503124
bis(4-methyl-1,3-benzothiazol-2-yl)diazene
CID 154148255
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
2-propyl-1,3-benzothiazol-4-ol
CID 82190216

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-methyl-1,3-benzothiazole?
The IUPAC name of ethane;2-ethyl-4-methyl-1,3-benzothiazole (CID 91212419) is ethane;2-ethyl-4-methyl-1,3-benzothiazole.
What is the SMILES notation for ethane;2-ethyl-4-methyl-1,3-benzothiazole?
The canonical SMILES for ethane;2-ethyl-4-methyl-1,3-benzothiazole is CC.CCc1nc2c(C)cccc2s1.
What is the InChIKey of ethane;2-ethyl-4-methyl-1,3-benzothiazole?
The InChIKey is AGNHJYZNOKUUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.C2H6/c1-3-9-11-10-7(2)5-4-6-8(10)12-9;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-methyl-1,3-benzothiazole?
ethane;2-ethyl-4-methyl-1,3-benzothiazole has a molecular weight of 207.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-methyl-1,3-benzothiazole is sourced from PubChem (CID 91212419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).