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

C12H19FN2S — CID 170572306

IUPACethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine
SMILESCC.CC.Cc1ccc(F)c2sc(N)nc12
InChIInChI=1S/C8H7FN2S.2C2H6/c1-4-2-3-5(9)7-6(4)11-8(10)12-7;2*1-2/h2-3H,1H3,(H2,10,11);2*1-2H3
InChIKeyITALIPXINRZEEN-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.38
Rot. Bonds

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

ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 170572306) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Nameethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine
PubChem CID170572306
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Nameethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine
SMILESCC.CC.Cc1ccc(F)c2sc(N)nc12
InChIInChI=1S/C8H7FN2S.2C2H6/c1-4-2-3-5(9)7-6(4)11-8(10)12-7;2*1-2/h2-3H,1H3,(H2,10,11);2*1-2H3
InChIKeyITALIPXINRZEEN-UHFFFAOYSA-N
XLogP4.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 15050569
ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 170624259
4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 42281874
2-amino-4-methyl-1,3-benzothiazol-7-ol
CID 171560062
7-iodo-4-methyl-1,3-benzothiazol-2-amine
CID 130498154
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 164903761
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 169182238
ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine
CID 176951023
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine
CID 123800310
5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 166533290
ethane;7-methyl-1,3-benzothiazol-2-amine
CID 145229786
4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine
CID 167162170

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine (CID 170572306) is ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine is CC.CC.Cc1ccc(F)c2sc(N)nc12.
What is the InChIKey of ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is ITALIPXINRZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2S.2C2H6/c1-4-2-3-5(9)7-6(4)11-8(10)12-7;2*1-2/h2-3H,1H3,(H2,10,11);2*1-2H3.
What are the key properties of ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine?
ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 242.36 g/mol, XLogP of 4.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 170572306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).