(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine

C11H13FN4S — CID 105102650

IUPAC(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(N)c1cncc(F)c1
InChIInChI=1S/C11H13FN4S/c1-2-3-9-11(17-16-15-9)10(13)7-4-8(12)6-14-5-7/h4-6,10H,2-3,13H2,1H3
InChIKeyLVDJMPKGHYCCGA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.07
Rot. Bonds4

About (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine

(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105102650) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105102650
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC Name(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(N)c1cncc(F)c1
InChIInChI=1S/C11H13FN4S/c1-2-3-9-11(17-16-15-9)10(13)7-4-8(12)6-14-5-7/h4-6,10H,2-3,13H2,1H3
InChIKeyLVDJMPKGHYCCGA-UHFFFAOYSA-N
XLogP2.07
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol
CID 105080455
(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105144608
(3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105141276
(2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105175924
(4-chloro-3-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105164625
(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709870
[(5-fluoro-3-pyridinyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105288008
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 103405312
N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105170013
(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105175460
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine (CID 105102650) is (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(N)c1cncc(F)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is LVDJMPKGHYCCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S/c1-2-3-9-11(17-16-15-9)10(13)7-4-8(12)6-14-5-7/h4-6,10H,2-3,13H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine?
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105102650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).