ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine

C10H13FN2S — CID 170624259

IUPACethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
SMILESCC.Cc1ccc(F)c2nc(N)sc12
InChIInChI=1S/C8H7FN2S.C2H6/c1-4-2-3-5(9)6-7(4)12-8(10)11-6;1-2/h2-3H,1H3,(H2,10,11);1-2H3
InChIKeyKFBLFKHZAMYUHB-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.35
Rot. Bonds

About ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine

ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine (PubChem CID 170624259) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Nameethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
PubChem CID170624259
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Nameethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
SMILESCC.Cc1ccc(F)c2nc(N)sc12
InChIInChI=1S/C8H7FN2S.C2H6/c1-4-2-3-5(9)6-7(4)12-8(10)11-6;1-2/h2-3H,1H3,(H2,10,11);1-2H3
InChIKeyKFBLFKHZAMYUHB-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 42281874
ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 170572306
7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 15050569
ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine
CID 176951023
4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine
CID 167162170
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 169182238
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 164903761
5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 166533290
2-amino-4-methyl-1,3-benzothiazol-7-ol
CID 171560062
7-iodo-4-methyl-1,3-benzothiazol-2-amine
CID 130498154
ethane;7-methyl-1,3-benzothiazol-2-amine
CID 145229786
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine
CID 123800310

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine (CID 170624259) is ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine is CC.Cc1ccc(F)c2nc(N)sc12.
What is the InChIKey of ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine?
The InChIKey is KFBLFKHZAMYUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2S.C2H6/c1-4-2-3-5(9)6-7(4)12-8(10)11-6;1-2/h2-3H,1H3,(H2,10,11);1-2H3.
What are the key properties of ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine?
ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine has a molecular weight of 212.29 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 170624259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).