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

C6H8F3N3S — CID 106784019

IUPACN'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)5-12-3-4(13-5)11-2-1-10/h3,11H,1-2,10H2
InChIKeyWZXMBAVHZNLEKK-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.53
Rot. Bonds3

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

N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine (PubChem CID 106784019) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine
PubChem CID106784019
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC NameN'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)5-12-3-4(13-5)11-2-1-10/h3,11H,1-2,10H2
InChIKeyWZXMBAVHZNLEKK-UHFFFAOYSA-N
XLogP1.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine (CID 106784019) is N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine is NCCNc1cnc(C(F)(F)F)s1.
What is the InChIKey of N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine?
The InChIKey is WZXMBAVHZNLEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c7-6(8,9)5-12-3-4(13-5)11-2-1-10/h3,11H,1-2,10H2.
What are the key properties of N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine?
N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine has a molecular weight of 211.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 106784019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).