2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine

C7H12F2N4S — CID 165462576

IUPAC2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine
SMILESCN(Cc1cnns1)CC(F)(F)CN
InChIInChI=1S/C7H12F2N4S/c1-13(5-7(8,9)4-10)3-6-2-11-12-14-6/h2H,3-5,10H2,1H3
InChIKeyFLXMPPXFUXVKLQ-UHFFFAOYSA-N
MW222.26 g/mol
LogP0.56
Rot. Bonds5

About 2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine

2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine (PubChem CID 165462576) has the molecular formula C7H12F2N4S and a molecular weight of 222.26 g/mol. Its IUPAC name is 2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine
PubChem CID165462576
Molecular FormulaC7H12F2N4S
Molecular Weight222.26 g/mol
Exact Mass222.08
IUPAC Name2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine
SMILESCN(Cc1cnns1)CC(F)(F)CN
InChIInChI=1S/C7H12F2N4S/c1-13(5-7(8,9)4-10)3-6-2-11-12-14-6/h2H,3-5,10H2,1H3
InChIKeyFLXMPPXFUXVKLQ-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine (CID 165462576) is 2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine is CN(Cc1cnns1)CC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine?
The InChIKey is FLXMPPXFUXVKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4S/c1-13(5-7(8,9)4-10)3-6-2-11-12-14-6/h2H,3-5,10H2,1H3.
What are the key properties of 2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine?
2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine has a molecular weight of 222.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-methyl-N'-(thiadiazol-5-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 165462576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).