1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

C11H11F2N3S — CID 43681012

IUPAC1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N3S/c1-7(14-5-9-6-17-16-15-9)8-2-3-10(12)11(13)4-8/h2-4,6-7,14H,5H2,1H3
InChIKeyLNAMWVGIJLISBL-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.67
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43681012) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43681012
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N3S/c1-7(14-5-9-6-17-16-15-9)8-2-3-10(12)11(13)4-8/h2-4,6-7,14H,5H2,1H3
InChIKeyLNAMWVGIJLISBL-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43681012) is 1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is CC(NCc1csnn1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is LNAMWVGIJLISBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c1-7(14-5-9-6-17-16-15-9)8-2-3-10(12)11(13)4-8/h2-4,6-7,14H,5H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 255.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43681012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).