5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine

C9H7F3N2OS — CID 87877149

IUPAC5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCOc1cc2nc(N)sc2cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2OS/c1-15-6-3-5-7(16-8(13)14-5)2-4(6)9(10,11)12/h2-3H,1H3,(H2,13,14)
InChIKeyBHHRLBAEGSRZDG-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.91
Rot. Bonds1

About 5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine

5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 87877149) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID87877149
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Name5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCOc1cc2nc(N)sc2cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2OS/c1-15-6-3-5-7(16-8(13)14-5)2-4(6)9(10,11)12/h2-3H,1H3,(H2,13,14)
InChIKeyBHHRLBAEGSRZDG-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 155544476
6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118961463
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine
CID 82549880
CID 158604119
CID 158604119
5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine
CID 15180051
5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine
CID 45077485
6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine
CID 22975278
[2-amino-5-(trifluoromethoxy)-1,3-benzothiazol-6-yl] thiocyanate
CID 175674940
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
5,6-bis(3-chloropropoxy)-1,3-benzothiazol-2-amine
CID 87533400
2-amino-1,3-benzothiazole-5,6-diol
CID 13158929

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 87877149) is 5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine is COc1cc2nc(N)sc2cc1C(F)(F)F.
What is the InChIKey of 5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is BHHRLBAEGSRZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c1-15-6-3-5-7(16-8(13)14-5)2-4(6)9(10,11)12/h2-3H,1H3,(H2,13,14).
What are the key properties of 5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 248.23 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87877149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).