2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine

C12H7F3N2S2 — CID 43134920

IUPAC2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine
SMILESNc1ccsc1-c1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C12H7F3N2S2/c13-12(14,15)6-1-2-9-8(5-6)17-11(19-9)10-7(16)3-4-18-10/h1-5H,16H2
InChIKeyWSIGGTVIWRGKBX-UHFFFAOYSA-N
MW300.33 g/mol
LogP4.63
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine

2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine (PubChem CID 43134920) has the molecular formula C12H7F3N2S2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine
PubChem CID43134920
Molecular FormulaC12H7F3N2S2
Molecular Weight300.33 g/mol
Exact Mass300.00
IUPAC Name2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine
SMILESNc1ccsc1-c1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C12H7F3N2S2/c13-12(14,15)6-1-2-9-8(5-6)17-11(19-9)10-7(16)3-4-18-10/h1-5H,16H2
InChIKeyWSIGGTVIWRGKBX-UHFFFAOYSA-N
XLogP4.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-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

4-iodo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
CID 63525847
3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
CID 43247351
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride
CID 155821832
4-methyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
CID 43247361
2-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 79530408
CID 152848151
CID 152848151
4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylsulfanyl]aniline
CID 86075020
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
1,1,1-trifluoro-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-2-ol
CID 79872287
2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine
CID 60835878
[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl formate
CID 174767325
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]guanidine
CID 11651818

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine?
The IUPAC name of 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine (CID 43134920) is 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine is Nc1ccsc1-c1nc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine?
The InChIKey is WSIGGTVIWRGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2S2/c13-12(14,15)6-1-2-9-8(5-6)17-11(19-9)10-7(16)3-4-18-10/h1-5H,16H2.
What are the key properties of 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine?
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine has a molecular weight of 300.33 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine is sourced from PubChem (CID 43134920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).