N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine

C8H12F3N3S — CID 106784027

IUPACN,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine
SMILESCNCCN(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3S/c1-12-3-4-14(2)6-5-13-7(15-6)8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyWQRXJHBSSPMISD-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.82
Rot. Bonds4

About N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine

N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine (PubChem CID 106784027) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine
PubChem CID106784027
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC NameN,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine
SMILESCNCCN(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3S/c1-12-3-4-14(2)6-5-13-7(15-6)8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyWQRXJHBSSPMISD-UHFFFAOYSA-N
XLogP1.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine (CID 106784027) is N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine is CNCCN(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine?
The InChIKey is WQRXJHBSSPMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-12-3-4-14(2)6-5-13-7(15-6)8(9,10)11/h5,12H,3-4H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine has a molecular weight of 239.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 106784027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).