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

C10H9F3N2OS — CID 43450640

IUPAC2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(OCC(F)(F)F)c(N)cc2s1
InChIInChI=1S/C10H9F3N2OS/c1-5-15-7-3-8(16-4-10(11,12)13)6(14)2-9(7)17-5/h2-3H,4,14H2,1H3
InChIKeyYDCAORACDPQTPH-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.13
Rot. Bonds2

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

2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine (PubChem CID 43450640) has the molecular formula C10H9F3N2OS and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine
PubChem CID43450640
Molecular FormulaC10H9F3N2OS
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(OCC(F)(F)F)c(N)cc2s1
InChIInChI=1S/C10H9F3N2OS/c1-5-15-7-3-8(16-4-10(11,12)13)6(14)2-9(7)17-5/h2-3H,4,14H2,1H3
InChIKeyYDCAORACDPQTPH-UHFFFAOYSA-N
XLogP3.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine (CID 43450640) is 2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine is Cc1nc2cc(OCC(F)(F)F)c(N)cc2s1.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine?
The InChIKey is YDCAORACDPQTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS/c1-5-15-7-3-8(16-4-10(11,12)13)6(14)2-9(7)17-5/h2-3H,4,14H2,1H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine?
2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine has a molecular weight of 262.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43450640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).