(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine

C10H10FN3S — CID 105088292

IUPAC(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine
SMILESCc1nnsc1C(N)c1ccc(F)cc1
InChIInChI=1S/C10H10FN3S/c1-6-10(15-14-13-6)9(12)7-2-4-8(11)5-3-7/h2-5,9H,12H2,1H3
InChIKeyIARXGOFNHRQAMD-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.03
Rot. Bonds2

About (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine

(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 105088292) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine
PubChem CID105088292
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine
SMILESCc1nnsc1C(N)c1ccc(F)cc1
InChIInChI=1S/C10H10FN3S/c1-6-10(15-14-13-6)9(12)7-2-4-8(11)5-3-7/h2-5,9H,12H2,1H3
InChIKeyIARXGOFNHRQAMD-UHFFFAOYSA-N
XLogP2.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine?
The IUPAC name of (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine (CID 105088292) is (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine is Cc1nnsc1C(N)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is IARXGOFNHRQAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-6-10(15-14-13-6)9(12)7-2-4-8(11)5-3-7/h2-5,9H,12H2,1H3.
What are the key properties of (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine?
(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 223.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105088292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).