N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H12F3N3S — CID 107494250

IUPACN'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1nc2ccccc2s1
InChIInChI=1S/C11H12F3N3S/c12-11(13,14)7-17(6-5-15)10-16-8-3-1-2-4-9(8)18-10/h1-4H,5-7,15H2
InChIKeyOLJJPZBIWQUNQH-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.62
Rot. Bonds4

About N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494250) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494250
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC NameN'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1nc2ccccc2s1
InChIInChI=1S/C11H12F3N3S/c12-11(13,14)7-17(6-5-15)10-16-8-3-1-2-4-9(8)18-10/h1-4H,5-7,15H2
InChIKeyOLJJPZBIWQUNQH-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
CID 143176372
N'-(1,3-benzothiazol-2-yl)-N'-[(4-phenylmethoxyphenyl)methyl]ethane-1,2-diamine;hydrochloride
CID 44622487
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 107489824
N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 133398444
N'-(1,3-benzothiazol-2-yl)-N'-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;hydrochloride
CID 44622569
N-[(3-aminophenyl)methyl]-N-propyl-1,3-benzothiazol-2-amine
CID 60877209
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine
CID 118066757
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569
N-(2-aminoethyl)-N-(1,3-benzothiazol-2-yl)-3,4-dichlorobenzenesulfonamide
CID 44622190
N-(2-aminoethyl)-N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 44622187
N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
CID 60870636

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494250) is N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC(F)(F)F)c1nc2ccccc2s1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is OLJJPZBIWQUNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c12-11(13,14)7-17(6-5-15)10-16-8-3-1-2-4-9(8)18-10/h1-4H,5-7,15H2.
What are the key properties of N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 275.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).