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

C7H11F2N3S — CID 70458538

IUPACN'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cnc(C(F)F)s1
InChIInChI=1S/C7H11F2N3S/c8-6(9)7-12-4-5(13-7)3-11-2-1-10/h4,6,11H,1-3,10H2
InChIKeyLFWWKPDOTKJMPD-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.13
Rot. Bonds5

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

N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine (PubChem CID 70458538) has the molecular formula C7H11F2N3S and a molecular weight of 207.25 g/mol. Its IUPAC name is N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
PubChem CID70458538
Molecular FormulaC7H11F2N3S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC NameN'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cnc(C(F)F)s1
InChIInChI=1S/C7H11F2N3S/c8-6(9)7-12-4-5(13-7)3-11-2-1-10/h4,6,11H,1-3,10H2
InChIKeyLFWWKPDOTKJMPD-UHFFFAOYSA-N
XLogP1.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.13
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-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine (CID 70458538) is N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine is NCCNCc1cnc(C(F)F)s1.
What is the InChIKey of N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is LFWWKPDOTKJMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3S/c8-6(9)7-12-4-5(13-7)3-11-2-1-10/h4,6,11H,1-3,10H2.
What are the key properties of N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine has a molecular weight of 207.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 70458538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).