N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine

C7H12F2N4S — CID 107494032

IUPACN'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
SMILESCc1nnc(N(CCN)CC(F)F)s1
InChIInChI=1S/C7H12F2N4S/c1-5-11-12-7(14-5)13(3-2-10)4-6(8)9/h6H,2-4,10H2,1H3
InChIKeyPPGUKNDKJGTXJT-UHFFFAOYSA-N
MW222.26 g/mol
LogP0.88
Rot. Bonds5

About N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine (PubChem CID 107494032) has the molecular formula C7H12F2N4S and a molecular weight of 222.26 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
PubChem CID107494032
Molecular FormulaC7H12F2N4S
Molecular Weight222.26 g/mol
Exact Mass222.08
IUPAC NameN'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
SMILESCc1nnc(N(CCN)CC(F)F)s1
InChIInChI=1S/C7H12F2N4S/c1-5-11-12-7(14-5)13(3-2-10)4-6(8)9/h6H,2-4,10H2,1H3
InChIKeyPPGUKNDKJGTXJT-UHFFFAOYSA-N
XLogP0.88
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine (CID 107494032) is N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine is Cc1nnc(N(CCN)CC(F)F)s1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The InChIKey is PPGUKNDKJGTXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4S/c1-5-11-12-7(14-5)13(3-2-10)4-6(8)9/h6H,2-4,10H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine has a molecular weight of 222.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107494032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).