N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

C11H11F3N2OS — CID 118215837

IUPACN-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESCC(C)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C11H11F3N2OS/c1-6(2)15-10-16-8-4-3-7(5-9(8)18-10)17-11(12,13)14/h3-6H,1-2H3,(H,15,16)
InChIKeyICUOCCAJUMONNE-UHFFFAOYSA-N
MW276.28 g/mol
LogP4.02
Rot. Bonds3

About N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine (PubChem CID 118215837) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
PubChem CID118215837
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC NameN-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESCC(C)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C11H11F3N2OS/c1-6(2)15-10-16-8-4-3-7(5-9(8)18-10)17-11(12,13)14/h3-6H,1-2H3,(H,15,16)
InChIKeyICUOCCAJUMONNE-UHFFFAOYSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 134241624
1-chloroethyl N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamate
CID 118029905
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
2-methylsulfanyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 44820103
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
2-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625103
2-[acetyl(propan-2-yl)amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 175748161
2-(2-aminopropanoylamino)-2-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 122625153
2-(methylamino)-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122624882
methyl 5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55823981
2-(ethylamino)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122624925

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine (CID 118215837) is N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine is CC(C)Nc1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is ICUOCCAJUMONNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c1-6(2)15-10-16-8-4-3-7(5-9(8)18-10)17-11(12,13)14/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 276.28 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 118215837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).