1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

C11H11F2N3S — CID 43680864

IUPAC1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3S/c1-7(14-5-9-6-17-16-15-9)10-3-2-8(12)4-11(10)13/h2-4,6-7,14H,5H2,1H3
InChIKeyLPFXDYUXJTXAIU-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.67
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43680864) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43680864
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3S/c1-7(14-5-9-6-17-16-15-9)10-3-2-8(12)4-11(10)13/h2-4,6-7,14H,5H2,1H3
InChIKeyLPFXDYUXJTXAIU-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-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43680864) is 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is CC(NCc1csnn1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is LPFXDYUXJTXAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c1-7(14-5-9-6-17-16-15-9)10-3-2-8(12)4-11(10)13/h2-4,6-7,14H,5H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
1-(2,4-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-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43680864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).