5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine

C13H8F2N2S2 — CID 43451609

IUPAC5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine
SMILESNc1c(Sc2ccc(F)cc2F)ccc2scnc12
InChIInChI=1S/C13H8F2N2S2/c14-7-1-2-9(8(15)5-7)19-10-3-4-11-13(12(10)16)17-6-18-11/h1-6H,16H2
InChIKeySLAPMQOHDVUKBJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.31
Rot. Bonds2

About 5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine

5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine (PubChem CID 43451609) has the molecular formula C13H8F2N2S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine
PubChem CID43451609
Molecular FormulaC13H8F2N2S2
Molecular Weight294.35 g/mol
Exact Mass294.01
IUPAC Name5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine
SMILESNc1c(Sc2ccc(F)cc2F)ccc2scnc12
InChIInChI=1S/C13H8F2N2S2/c14-7-1-2-9(8(15)5-7)19-10-3-4-11-13(12(10)16)17-6-18-11/h1-6H,16H2
InChIKeySLAPMQOHDVUKBJ-UHFFFAOYSA-N
XLogP4.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Benzothiazolamine
CID 298490
4-Fluorobenzo[d]thiazole
CID 22923262
2-Fluoro-1,3-benzothiazol-4-amine
CID 118834960
N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-3-fluoroaniline
CID 19439283
N-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-2-methylsulfanylaniline
CID 19439397
N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-2-methylsulfanylaniline
CID 19439415
N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-2-fluoroaniline
CID 19439434
N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-4-fluoroaniline
CID 19439598
N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]aniline
CID 19439651
2-(Trifluoromethoxy)-1,3-benzothiazol-4-amine
CID 70091877
4-Fluorobenzo[d]thiazol-6-amine
CID 90134427
4,5-Difluoro-3-phenyl-1,3-benzothiazol-3-ium
CID 117876611

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine (CID 43451609) is 5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine is Nc1c(Sc2ccc(F)cc2F)ccc2scnc12.
What is the InChIKey of 5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine?
The InChIKey is SLAPMQOHDVUKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2S2/c14-7-1-2-9(8(15)5-7)19-10-3-4-11-13(12(10)16)17-6-18-11/h1-6H,16H2.
What are the key properties of 5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine?
5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine has a molecular weight of 294.35 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43451609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).