5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine

C14H10F2N2OS — CID 43450642

IUPAC5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(Oc3ccc(F)cc3F)c(N)cc2s1
InChIInChI=1S/C14H10F2N2OS/c1-7-18-11-6-13(10(17)5-14(11)20-7)19-12-3-2-8(15)4-9(12)16/h2-6H,17H2,1H3
InChIKeyNXOFRDQBQIKTPS-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.26
Rot. Bonds2

About 5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine

5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43450642) has the molecular formula C14H10F2N2OS and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43450642
Molecular FormulaC14H10F2N2OS
Molecular Weight292.31 g/mol
Exact Mass292.05
IUPAC Name5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(Oc3ccc(F)cc3F)c(N)cc2s1
InChIInChI=1S/C14H10F2N2OS/c1-7-18-11-6-13(10(17)5-14(11)20-7)19-12-3-2-8(15)4-9(12)16/h2-6H,17H2,1H3
InChIKeyNXOFRDQBQIKTPS-UHFFFAOYSA-N
XLogP4.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine (CID 43450642) is 5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2cc(Oc3ccc(F)cc3F)c(N)cc2s1.
What is the InChIKey of 5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is NXOFRDQBQIKTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2OS/c1-7-18-11-6-13(10(17)5-14(11)20-7)19-12-3-2-8(15)4-9(12)16/h2-6H,17H2,1H3.
What are the key properties of 5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine?
5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 292.31 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43450642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).