2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine

C13H12F3N3OS — CID 177144030

IUPAC2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCC(C)c1nc2sc3cc(OC(F)(F)F)ccc3n2c1N
InChIInChI=1S/C13H12F3N3OS/c1-6(2)10-11(17)19-8-4-3-7(20-13(14,15)16)5-9(8)21-12(19)18-10/h3-6H,17H2,1-2H3
InChIKeyHLRZQTMXEBFLMD-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.15
Rot. Bonds2

About 2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine

2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 177144030) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID177144030
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCC(C)c1nc2sc3cc(OC(F)(F)F)ccc3n2c1N
InChIInChI=1S/C13H12F3N3OS/c1-6(2)10-11(17)19-8-4-3-7(20-13(14,15)16)5-9(8)21-12(19)18-10/h3-6H,17H2,1-2H3
InChIKeyHLRZQTMXEBFLMD-UHFFFAOYSA-N
XLogP4.15
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 145044061
1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
CID 69449777
N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118215837
N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 118971108
1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methanamine
CID 162561361
2-methylsulfanyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 44820103
1-chloroethyl N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamate
CID 118029905
6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209649
2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
CID 122656779
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 177144030) is 2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine is CC(C)c1nc2sc3cc(OC(F)(F)F)ccc3n2c1N.
What is the InChIKey of 2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is HLRZQTMXEBFLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-6(2)10-11(17)19-8-4-3-7(20-13(14,15)16)5-9(8)21-12(19)18-10/h3-6H,17H2,1-2H3.
What are the key properties of 2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine?
2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 315.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 177144030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).