6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine

C8H4ClF3N2OS — CID 118961463

IUPAC6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(OC(F)(F)F)c(Cl)cc2s1
InChIInChI=1S/C8H4ClF3N2OS/c9-3-1-6-4(14-7(13)16-6)2-5(3)15-8(10,11)12/h1-2H,(H2,13,14)
InChIKeyHCPAPRMXRDHRSV-UHFFFAOYSA-N
MW268.65 g/mol
LogP3.43
Rot. Bonds1

About 6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine

6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine (PubChem CID 118961463) has the molecular formula C8H4ClF3N2OS and a molecular weight of 268.65 g/mol. Its IUPAC name is 6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
PubChem CID118961463
Molecular FormulaC8H4ClF3N2OS
Molecular Weight268.65 g/mol
Exact Mass267.97
IUPAC Name6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(OC(F)(F)F)c(Cl)cc2s1
InChIInChI=1S/C8H4ClF3N2OS/c9-3-1-6-4(14-7(13)16-6)2-5(3)15-8(10,11)12/h1-2H,(H2,13,14)
InChIKeyHCPAPRMXRDHRSV-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine (CID 118961463) is 6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine is Nc1nc2cc(OC(F)(F)F)c(Cl)cc2s1.
What is the InChIKey of 6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is HCPAPRMXRDHRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2OS/c9-3-1-6-4(14-7(13)16-6)2-5(3)15-8(10,11)12/h1-2H,(H2,13,14).
What are the key properties of 6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 268.65 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 118961463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).