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

C7H10F3N3S — CID 106784020

IUPACN'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine
SMILESNCCCNc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S/c8-7(9,10)6-13-4-5(14-6)12-3-1-2-11/h4,12H,1-3,11H2
InChIKeyUVNRZWYBKFWZOM-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.92
Rot. Bonds4

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

N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine (PubChem CID 106784020) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine
PubChem CID106784020
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC NameN'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine
SMILESNCCCNc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S/c8-7(9,10)6-13-4-5(14-6)12-3-1-2-11/h4,12H,1-3,11H2
InChIKeyUVNRZWYBKFWZOM-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine (CID 106784020) is N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine is NCCCNc1cnc(C(F)(F)F)s1.
What is the InChIKey of N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine?
The InChIKey is UVNRZWYBKFWZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c8-7(9,10)6-13-4-5(14-6)12-3-1-2-11/h4,12H,1-3,11H2.
What are the key properties of N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine?
N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine has a molecular weight of 225.24 g/mol, XLogP of 1.92, 4 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]propane-1,3-diamine is sourced from PubChem (CID 106784020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).