2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine

C10H9F3N2S — CID 122230436

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(NCC(F)(F)F)ccc2s1
InChIInChI=1S/C10H9F3N2S/c1-6-15-8-4-7(2-3-9(8)16-6)14-5-10(11,12)13/h2-4,14H,5H2,1H3
InChIKeyDMXPCBMNFISKSR-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.58
Rot. Bonds2

About 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine

2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine (PubChem CID 122230436) has the molecular formula C10H9F3N2S and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine
PubChem CID122230436
Molecular FormulaC10H9F3N2S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(NCC(F)(F)F)ccc2s1
InChIInChI=1S/C10H9F3N2S/c1-6-15-8-4-7(2-3-9(8)16-6)14-5-10(11,12)13/h2-4,14H,5H2,1H3
InChIKeyDMXPCBMNFISKSR-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine (CID 122230436) is 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine is Cc1nc2cc(NCC(F)(F)F)ccc2s1.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine?
The InChIKey is DMXPCBMNFISKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S/c1-6-15-8-4-7(2-3-9(8)16-6)14-5-10(11,12)13/h2-4,14H,5H2,1H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine?
2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine has a molecular weight of 246.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 122230436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).