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

C10H9F2N3S — CID 62223806

IUPAC1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESFc1ccc(CNCc2csnn2)c(F)c1
InChIInChI=1S/C10H9F2N3S/c11-8-2-1-7(10(12)3-8)4-13-5-9-6-16-15-14-9/h1-3,6,13H,4-5H2
InChIKeyTXBOEEJCPJRNPC-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.11
Rot. Bonds4

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

1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 62223806) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID62223806
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESFc1ccc(CNCc2csnn2)c(F)c1
InChIInChI=1S/C10H9F2N3S/c11-8-2-1-7(10(12)3-8)4-13-5-9-6-16-15-14-9/h1-3,6,13H,4-5H2
InChIKeyTXBOEEJCPJRNPC-UHFFFAOYSA-N
XLogP2.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.11
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)methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine (CID 62223806) is 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine is Fc1ccc(CNCc2csnn2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is TXBOEEJCPJRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c11-8-2-1-7(10(12)3-8)4-13-5-9-6-16-15-14-9/h1-3,6,13H,4-5H2.
What are the key properties of 1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 241.27 g/mol, XLogP of 2.11, 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)methanamine is sourced from PubChem (CID 62223806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).