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

C9H16F2N4S — CID 107494081

IUPACN'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCC(C)c1nsc(N(CCN)CC(F)F)n1
InChIInChI=1S/C9H16F2N4S/c1-6(2)8-13-9(16-14-8)15(4-3-12)5-7(10)11/h6-7H,3-5,12H2,1-2H3
InChIKeyHYPIJHSJLTWAAL-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.69
Rot. Bonds6

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

N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 107494081) has the molecular formula C9H16F2N4S and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID107494081
Molecular FormulaC9H16F2N4S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC NameN'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCC(C)c1nsc(N(CCN)CC(F)F)n1
InChIInChI=1S/C9H16F2N4S/c1-6(2)8-13-9(16-14-8)15(4-3-12)5-7(10)11/h6-7H,3-5,12H2,1-2H3
InChIKeyHYPIJHSJLTWAAL-UHFFFAOYSA-N
XLogP1.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 107494081) is N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CC(C)c1nsc(N(CCN)CC(F)F)n1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is HYPIJHSJLTWAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4S/c1-6(2)8-13-9(16-14-8)15(4-3-12)5-7(10)11/h6-7H,3-5,12H2,1-2H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 250.32 g/mol, XLogP of 1.69, 6 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'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 107494081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).