N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine

C8H7FN4S — CID 130710800

IUPACN-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine
SMILESFc1cncc(CNc2cnns2)c1
InChIInChI=1S/C8H7FN4S/c9-7-1-6(2-10-4-7)3-11-8-5-12-13-14-8/h1-2,4-5,11H,3H2
InChIKeyKKGHKEYLGJYUDD-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.68
Rot. Bonds3

About N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine

N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine (PubChem CID 130710800) has the molecular formula C8H7FN4S and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine
PubChem CID130710800
Molecular FormulaC8H7FN4S
Molecular Weight210.24 g/mol
Exact Mass210.04
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine
SMILESFc1cncc(CNc2cnns2)c1
InChIInChI=1S/C8H7FN4S/c9-7-1-6(2-10-4-7)3-11-8-5-12-13-14-8/h1-2,4-5,11H,3H2
InChIKeyKKGHKEYLGJYUDD-UHFFFAOYSA-N
XLogP1.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine (CID 130710800) is N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine is Fc1cncc(CNc2cnns2)c1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine?
The InChIKey is KKGHKEYLGJYUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4S/c9-7-1-6(2-10-4-7)3-11-8-5-12-13-14-8/h1-2,4-5,11H,3H2.
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine?
N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine has a molecular weight of 210.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 130710800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).