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

C10H14FN2PS — CID 176951023

IUPACethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine
SMILESCC.CPc1ccc(F)c2nc(N)sc12
InChIInChI=1S/C8H8FN2PS.C2H6/c1-12-5-3-2-4(9)6-7(5)13-8(10)11-6;1-2/h2-3,12H,1H3,(H2,10,11);1-2H3
InChIKeyXJIIAVYKCGEOOZ-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.98
Rot. Bonds1

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

ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine (PubChem CID 176951023) has the molecular formula C10H14FN2PS and a molecular weight of 244.28 g/mol. Its IUPAC name is ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Nameethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine
PubChem CID176951023
Molecular FormulaC10H14FN2PS
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Nameethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine
SMILESCC.CPc1ccc(F)c2nc(N)sc12
InChIInChI=1S/C8H8FN2PS.C2H6/c1-12-5-3-2-4(9)6-7(5)13-8(10)11-6;1-2/h2-3,12H,1H3,(H2,10,11);1-2H3
InChIKeyXJIIAVYKCGEOOZ-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethane;4-fluoro-7-methylphosphanyl-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;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 170624259
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
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
5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 164904591
7-bromo-6-fluoro-1,3-benzothiazol-2-amine
CID 22720417
2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one
CID 54772816
5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 166533290
5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane
CID 143917595
ethane;7-methyl-1,3-benzothiazol-2-amine
CID 145229786

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine?
The IUPAC name of ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine (CID 176951023) is ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine?
The canonical SMILES for ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine is CC.CPc1ccc(F)c2nc(N)sc12.
What is the InChIKey of ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine?
The InChIKey is XJIIAVYKCGEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN2PS.C2H6/c1-12-5-3-2-4(9)6-7(5)13-8(10)11-6;1-2/h2-3,12H,1H3,(H2,10,11);1-2H3.
What are the key properties of ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine?
ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine has a molecular weight of 244.28 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 176951023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).