3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine

C10H9F3N2S2 — CID 21478228

IUPAC3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine
SMILESNC(CSc1nc2ccccc2s1)C(F)(F)F
InChIInChI=1S/C10H9F3N2S2/c11-10(12,13)8(14)5-16-9-15-6-3-1-2-4-7(6)17-9/h1-4,8H,5,14H2
InChIKeyOFJLYAYWLBCHAC-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.28
Rot. Bonds3

About 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine

3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine (PubChem CID 21478228) has the molecular formula C10H9F3N2S2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine
PubChem CID21478228
Molecular FormulaC10H9F3N2S2
Molecular Weight278.32 g/mol
Exact Mass278.02
IUPAC Name3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine
SMILESNC(CSc1nc2ccccc2s1)C(F)(F)F
InChIInChI=1S/C10H9F3N2S2/c11-10(12,13)8(14)5-16-9-15-6-3-1-2-4-7(6)17-9/h1-4,8H,5,14H2
InChIKeyOFJLYAYWLBCHAC-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-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

2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-difluorophenyl)ethanamine
CID 107524402
(2R)-1-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 59439351
3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-1-ol
CID 66009891
3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropanamide
CID 70410872
2-amino-5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxypentanoic acid
CID 142014858
2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-1,3-benzothiazole
CID 73427431
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
[3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropyl]azanium chloride
CID 67591781
3-(1,3-benzothiazol-2-ylsulfanyl)-2-iodopropanethial
CID 54053495
tris[3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)propyl] borate
CID 141352310
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanamine
CID 64615749
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 104755154

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine (CID 21478228) is 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine is NC(CSc1nc2ccccc2s1)C(F)(F)F.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is OFJLYAYWLBCHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S2/c11-10(12,13)8(14)5-16-9-15-6-3-1-2-4-7(6)17-9/h1-4,8H,5,14H2.
What are the key properties of 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine?
3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 278.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 21478228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).