N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

C12H13F3N2OS — CID 134241624

IUPACN-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESCC(C)(C)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C12H13F3N2OS/c1-11(2,3)17-10-16-8-5-4-7(6-9(8)19-10)18-12(13,14)15/h4-6H,1-3H3,(H,16,17)
InChIKeyMWBBNXYJRQLRCJ-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.41
Rot. Bonds2

About N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine (PubChem CID 134241624) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
PubChem CID134241624
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC NameN-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESCC(C)(C)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C12H13F3N2OS/c1-11(2,3)17-10-16-8-5-4-7(6-9(8)19-10)18-12(13,14)15/h4-6H,1-3H3,(H,16,17)
InChIKeyMWBBNXYJRQLRCJ-UHFFFAOYSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118215837
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
5-bromo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]thiophene-2-sulfonamide
CID 53470438
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
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methanamine
CID 162561361
N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 141303041
4-oxo-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]but-2-enoic acid
CID 171905318
2-(2-aminopropanoylamino)-2-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 122625153

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine (CID 134241624) is N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine is CC(C)(C)Nc1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is MWBBNXYJRQLRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c1-11(2,3)17-10-16-8-5-4-7(6-9(8)19-10)18-12(13,14)15/h4-6H,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 290.31 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 134241624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).